id
int64 0
71k
| molecules
dict | messages
listlengths 3
3
| ground_truth
stringclasses 1
value |
|---|---|---|---|
70,500
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=N][Ring1][Branch2][C][C][Ring1][#C]",
"[N][#C][C][=C][C][=C][Branch1][#Branch2][O][C][C][C][N][C][C][Ring1][=Branch1][N][=C][Ring1][=N]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(Oc2ccc(C#N)cn2)CC1",
"N#Cc1ccc(OC2CCNCC2)nc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be ClCCl .",
"role": "assistant"
}
] | |
70,501
|
{
"selfies": [
"[Br][Br]",
"[C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][Branch1][=Branch2][S][Branch1][C][N][=Branch1][C][=O][=O][=C][Ring1][O]",
"[C][C][=C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][C][Br][C][=C][Ring1][#Branch2][S][Branch1][C][N][=Branch1][C][=O][=O]"
],
"smiles": [
"BrBr",
"CC(=O)c1ccc(C)c(S(N)(=O)=O)c1",
"Cc1ccc(C(=O)CBr)cc1S(N)(=O)=O"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,502
|
{
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[O][=C][Branch2][Ring1][=Branch1][C][=C][C][=C][Branch1][=N][C][N][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1][O][Ring1][=N][N][C][C][C][C][C][Ring1][=Branch1]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][N][Branch2][Ring1][#Branch1][C][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][O][Ring1][=N][C][C][Ring2][Ring1][Ring2]"
],
"smiles": [
"CS(=O)(=O)Cl",
"O=C(c1ccc(CN2CCC(O)CC2)o1)N1CCCCC1",
"CS(=O)(=O)OC1CCN(Cc2ccc(C(=O)N3CCCCC3)o2)CC1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "c1ccncc1 .",
"role": "assistant"
}
] | |
70,503
|
{
"selfies": [
"[C][C][S][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][Branch1][Ring2][Ring1][C][C]",
"[O][=C][Branch1][Ring1][O][O][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1]",
"[C][C][S][=Branch1][C][=O][C][C][C][C][C][C][C][C][=C][C][=Branch1][C][=O][C][=C][C][Ring1][#Branch1][Branch1][C][C][C][Ring1][N][Branch1][C][F][C][Branch1][C][O][C][C][Ring2][Ring1][C][Ring2][Ring1][Branch1][C]"
],
"smiles": [
"CCSC1CCC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC12C",
"O=C(OO)c1cccc(Cl)c1",
"CCS(=O)C1CCC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC21C"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClC(Cl)Cl .",
"role": "assistant"
}
] | |
70,504
|
{
"selfies": [
"[C][C][=C][C][=C][C][NH1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][C][Ring1][N][=Ring1][Branch2]",
"[N][#C][C][=C][C][=C][C][Branch1][Ring1][C][Br][=C][Ring1][Branch2]",
"[C][C][=C][C][=C][C][NH1][C][Branch2][Ring1][Ring1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][Branch2][=C][C][Ring2][Ring1][Branch1][=Ring1][P]"
],
"smiles": [
"Cc1cccc2[nH]c(C(=O)O)cc12",
"N#Cc1cccc(CBr)c1",
"Cc1cccc2[nH]c(C(=O)OCc3cccc(C#N)c3)cc12"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,505
|
{
"selfies": [
"[Cl][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2]",
"[O][=C][C][=C][C][=C][C][Branch1][C][O][=C][Ring1][#Branch1]",
"[O][=C][C][=C][C][=C][C][Branch1][P][O][C][C][=C][C][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][=C][Ring2][Ring1][C]"
],
"smiles": [
"ClCc1ccc2ccccc2n1",
"O=Cc1cccc(O)c1",
"O=Cc1cccc(OCc2ccc3ccccc3n2)c1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,506
|
{
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=Ring1][N][C][C][=C][O][C][=Ring1][Branch1]",
"[O][=C][Branch1][C][O][C][C][N][=C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][O][C][=Ring1][N][C][C][=C][O][C][=Ring1][Branch1]"
],
"smiles": [
"CCOC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccoc1",
"O=C(O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccoc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "O .",
"role": "assistant"
}
] | |
70,507
|
{
"selfies": [
"[C][C][N][C][=Branch1][C][=O][C][Branch1][S][C][=C][C][Branch1][C][N][=C][Branch1][C][F][C][=C][Ring1][Branch2][F][=C][C][=C][N][=C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][C][#N][C][=C][Ring1][N][Ring2][Ring1][#Branch2]",
"[O][=C][Branch1][C][Cl][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][N][C][=Branch1][C][=O][C][Branch2][Ring1][=N][C][=C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][C][F][C][=C][Ring1][P][F][=C][C][=C][N][=C][Branch1][=Branch2][N][C][=Branch1][C][=O][C][C][#N][C][=C][Ring1][N][Ring2][Ring2][Ring1]"
],
"smiles": [
"CCn1c(=O)c(-c2cc(N)c(F)cc2F)cc2cnc(NC(=O)CC#N)cc21",
"O=C(Cl)Oc1ccccc1",
"CCn1c(=O)c(-c2cc(NC(=O)Oc3ccccc3)c(F)cc2F)cc2cnc(NC(=O)CC#N)cc21"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,508
|
{
"selfies": [
"[C][=O]",
"[C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][=Branch1][#C][=C][C][=Branch1][C][=O][N][C][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][#Branch1]",
"[C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][=Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][F][Branch1][C][F][C][=Branch2][Ring1][C][=C][C][=Branch1][C][=O][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring2][Ring1][Branch2]"
],
"smiles": [
"C=O",
"Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(F)(F)C(=CC(=O)NC2CCNCC2)c2ccccc21",
"Cc1nc(-c2ccccc2)sc1C(=O)N1CCC(F)(F)C(=CC(=O)NC2CCN(C)CC2)c2ccccc21"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CC(=O)O.ClCCl .",
"role": "assistant"
}
] | |
70,509
|
{
"selfies": [
"[C][I]",
"[O][=C][Branch1][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1][Cl]"
],
"smiles": [
"CI",
"O=C(O)c1ccncc1Cl",
"COC(=O)c1ccncc1Cl"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CS(C)=O .",
"role": "assistant"
}
] | |
70,510
|
{
"selfies": [
"[C][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N+1][=Branch1][C][=O][O-1]",
"[C][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][N]"
],
"smiles": [
"CNc1ccc(C(=O)O)cc1[N+](=O)[O-]",
"CNc1ccc(C(=O)O)cc1N"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,511
|
{
"selfies": [
"[C][C][C][C][=C][C][Branch1][C][Cl][=C][O][C][Branch1][=N][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][Branch1][C][C][C][Ring1][=C][=C][Ring2][Ring1][Ring1][O][C][Branch1][C][C][=O]",
"[C][C][O][C][=Branch1][C][=O][C][Br]",
"[C][C][C][C][=C][C][Branch1][C][Cl][=C][O][C][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][C][=Branch1][C][=O][O][C][C][C][=C][Ring1][=N][=C][Branch1][C][C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][=Branch2][O][C][Branch1][C][C][=O]"
],
"smiles": [
"CCCc1cc(Cl)c2oc(Cc3ccc(O)cc3)c(C)c2c1OC(C)=O",
"CCOC(=O)CBr",
"CCCc1cc(Cl)c2oc(Cc3ccc(OCC(=O)OCC)cc3)c(C)c2c1OC(C)=O"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CC(C)=O .",
"role": "assistant"
}
] | |
70,512
|
{
"selfies": [
"[C][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][=Ring1][N][N+1][=Branch1][C][=O][O-1]",
"[C][C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][=Ring1][#Branch2][N+1][=Branch1][C][=O][O-1]"
],
"smiles": [
"Cc1oc2ccc([N+](=O)[O-])cc2c1[N+](=O)[O-]",
"Cc1oc2ccc(N)cc2c1[N+](=O)[O-]"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCOC(C)=O .",
"role": "assistant"
}
] | |
70,513
|
{
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring2][Ring1][C][=C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch2][Branch1][C][C][C][C][=C][Ring2][Ring1][Branch2]",
"[C][C][=Branch1][P][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch2][Branch1][C][C][C]"
],
"smiles": [
"CCOC(=O)c1ccc(C=C(C)c2ccc3c(c2)C(C)(C)C(=O)CC3(C)C)cc1",
"CC(=Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)C(=O)CC2(C)C"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CCO.O .",
"role": "assistant"
}
] | |
70,514
|
{
"selfies": [
"[C][I]",
"[C][O][C][C][O][C][=N][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][O][C][=C][Ring1][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][O][C][C][O][C][=N][C][=C][Branch1][S][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][O][C][C][=C][Ring1][P][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]"
],
"smiles": [
"CI",
"COCCOc1ncc(C(=O)NC2CCCCC2O)cc1-c1ccc(Cl)cc1",
"COCCOc1ncc(C(=O)NC2CCCCC2OC)cc1-c1ccc(Cl)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,515
|
{
"selfies": [
"[C][C][=C][C][=C][C][Branch1][C][O][=C][C][=C][Ring1][#Branch1][NH1][Ring1][#Branch2]",
"[N][#C][C][=C][C][=C][Branch1][C][Cl][C][=C][N][=C][Ring1][#Branch1][C][=C][Ring1][O][O][C][C][C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2]",
"[C][C][=C][C][=C][C][Branch2][Ring2][O][O][C][=C][C][=N][C][=C][C][Branch2][Ring1][Ring1][O][C][C][C][N][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][C][Ring1][Branch2][=C][Branch1][Ring1][C][#N][C][=C][Ring2][Ring1][Branch2][Ring2][Ring1][Ring2][=C][C][=C][Ring2][Ring1][#C][NH1][Ring2][Ring2][C]"
],
"smiles": [
"Cc1cc2cc(O)ccc2[nH]1",
"N#Cc1cc2c(Cl)ccnc2cc1OCCCN1CCS(=O)(=O)CC1",
"Cc1cc2cc(Oc3ccnc4cc(OCCCN5CCS(=O)(=O)CC5)c(C#N)cc34)ccc2[nH]1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CN(C)C=O .",
"role": "assistant"
}
] | |
70,516
|
{
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]",
"[N][C][=C][C][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][#Branch2]"
],
"smiles": [
"O=[N+]([O-])c1ccc(C(F)(F)F)cc1",
"Nc1ccc(C(F)(F)F)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CCO .",
"role": "assistant"
}
] | |
70,517
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][Br][C][C][Ring1][Branch2]",
"[C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][=C][C][=N][C][=C][C][Branch1][C][O][=C][Branch1][Ring1][C][#N][C][=C][Ring1][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][Cl]",
"[C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Branch1][C][O][C][=C][C][=N][C][=C][C][Branch2][Ring1][#Branch2][O][C][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][Branch1][Ring1][C][#N][C][=C][Ring2][Ring1][O][Ring2][Ring1][#Branch1][C][=C][Ring2][Ring2][C][Cl]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(CBr)CC1",
"CNC(=O)Nc1ccc(Oc2ccnc3cc(O)c(C#N)cc23)cc1Cl",
"CNC(=O)Nc1ccc(Oc2ccnc3cc(OCC4CCN(C(=O)OC(C)(C)C)CC4)c(C#N)cc23)cc1Cl"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCOC(C)=O.O .",
"role": "assistant"
}
] | |
70,518
|
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch2][Branch1][#Branch2][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][C][F][C][Branch2][Ring2][Branch1][C][=C][C][=C][C][Branch2][Ring1][=Branch2][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][=C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][O][=C][Ring2][Ring2][Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring2][S][C][C][=C][C][=C][C][Branch2][Ring2][Ring1][C][=C][C][Branch2][Ring1][=Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=Branch2][=C][C][=C][Ring2][Ring1][Ring1][F][=C][Ring2][Ring1][#Branch2][C][C][Ring2][Ring1][P]"
],
"smiles": [
"COC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)c1",
"CC(C)(C)OC(=O)N1CCN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C(=O)O)c4)ccc3F)c2)CC1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CO.O .",
"role": "assistant"
}
] | |
70,519
|
{
"selfies": [
"[Cl][C][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1]",
"[O][C][C][N][C][C][C][C][Ring1][Branch1]",
"[Br][C][=C][N][=C][Branch1][O][O][C][C][N][C][C][C][C][Ring1][Branch1][N][=C][Ring1][=C]"
],
"smiles": [
"Clc1ncc(Br)cn1",
"OCCN1CCCC1",
"Brc1cnc(OCCN2CCCC2)nc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,520
|
{
"selfies": [
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Branch1][C][N][=N+1][=N-1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][#C][C][=C][Ring2][Ring1][#Branch1]",
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Branch2][C][=Branch1][C][=O][N][C][C][C][C][Branch1][Ring1][C][N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N][C][=C][Ring2][Ring1][Branch1]"
],
"smiles": [
"Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(CN=[N+]=[N-])c3ccccc32)cc1",
"Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(CN)c3ccccc32)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,521
|
{
"selfies": [
"[C][C][O][P][=Branch1][C][=O][Branch1][O][N][C][C][N][C][C][C][Ring1][=Branch1][C][O][C][C]",
"[O][=N+1][Branch1][C][O-1][C][=C][N][=C][C][=C][Ring1][=Branch1][Cl]",
"[C][C][O][P][=Branch1][C][=O][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][=C][C][=C][C][=N][C][=C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1][C][C][C][Ring1][#C][C][O][C][C]"
],
"smiles": [
"CCOP(=O)(NC1CNCCC1C)OCC",
"O=[N+]([O-])c1cnccc1Cl",
"CCOP(=O)(NC1CN(c2ccncc2[N+](=O)[O-])CCC1C)OCC"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CC(C)O .",
"role": "assistant"
}
] | |
70,522
|
{
"selfies": [
"[C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch1][O][C][=C][C][=N][C][=C][C][Branch1][C][O-1][=C][Branch1][Ring1][C][#N][C][=C][Ring1][=N][Ring1][=Branch2][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][=C]",
"[Cl][C][C][C][N][C][C][O][C][C][Ring1][=Branch1]",
"[C][O][C][=C][C][=C][Branch2][Branch1][=Branch1][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring2][Ring2][O][C][=C][C][=N][C][=C][C][Branch1][=N][O][C][C][C][N][C][C][O][C][C][Ring1][=Branch1][=C][Branch1][Ring1][C][#N][C][=C][Ring2][Ring1][=Branch1][Ring2][Ring1][C][C][=C][Ring2][Ring1][=N][C][=C][Ring2][Ring2][#Branch1]"
],
"smiles": [
"COc1ccc(NC(=O)Nc2ccc(Oc3ccnc4cc([O-])c(C#N)cc34)cc2)cc1",
"ClCCCN1CCOCC1",
"COc1ccc(NC(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c(C#N)cc34)cc2)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,523
|
{
"selfies": [
"[C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][#Branch1][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][=Branch2][C][O][Ring2][Ring1][Branch1]",
"[C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][Ring1][=Branch1][O][C][=C][C][=C][Branch1][C][N][C][=N][Ring1][#Branch1][C][O][Ring2][Ring1][Ring1]"
],
"smiles": [
"CC1(C)Cc2c(cccc2Oc2ccc([N+](=O)[O-])cn2)CO1",
"CC1(C)Cc2c(cccc2Oc2ccc(N)cn2)CO1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,524
|
{
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][C][Branch1][Ring1][C][O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][Branch1][O][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"CS(=O)(=O)Cl",
"CC(CO)NC(=O)OC(C)(C)C",
"CC(COS(C)(=O)=O)NC(=O)OC(C)(C)C"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,525
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][N][=C][C][Branch2][Ring1][Ring2][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][Cl][=C][C][=C][N][Ring1][P][N][=Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][O][C][C][Ring2][Ring1][S]",
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][C][Cl][C][Branch2][Ring2][Ring2][C][=C][C][=C][N][N][=C][Branch2][Ring1][Ring1][N][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][N][C][C][Ring1][Branch2][N][=C][Ring2][Ring1][Branch1][Ring1][P][=C][Ring2][Ring1][N]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCc2ccc(Nc3nc4c(-c5cc(C(F)(F)F)ccc5Cl)cccn4n3)cc2CC1",
"FC(F)(F)c1ccc(Cl)c(-c2cccn3nc(Nc4ccc5c(c4)CCNCC5)nc23)c1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be ClCCl .",
"role": "assistant"
}
] | |
70,526
|
{
"selfies": [
"[C][O][C][=C][C][=C][Branch2][Ring2][=Branch1][N][C][C][N][Branch2][Ring1][#Branch2][C][=C][C][=C][Branch1][S][N][C][=N][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Ring1][Branch2][=O][C][=C][Ring1][#C][C][C][Ring2][Ring1][Branch1][C][=C][Ring2][Ring1][O]",
"[C][C][Branch1][C][C][N][N][=C][N][Branch2][Ring2][C][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][C][Ring2][Ring1][Branch2][=O]"
],
"smiles": [
"COc1ccc(N2CCN(c3ccc(-n4cnn(C(C)C)c4=O)cc3)CC2)cc1",
"CC(C)n1ncn(-c2ccc(N3CCN(c4ccc(O)cc4)CC3)cc2)c1=O"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be Br .",
"role": "assistant"
}
] | |
70,527
|
{
"selfies": [
"[C][C][N][C][C]",
"[O][=C][Branch1][C][O][C][C][C][C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][C][C][C][C][=N][N][=N][N][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CCNCC",
"O=C(O)CCCCc1nnnn1-c1ccccc1",
"CCN(CC)C(=O)CCCCc1nnnn1-c1ccccc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,528
|
{
"selfies": [
"[C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]",
"[C][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2]",
"[C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1]"
],
"smiles": [
"COc1cc(Br)ccc1O",
"Cc1ccc(S(=O)(=O)Cl)cc1",
"COc1cc(Br)ccc1OS(=O)(=O)c1ccc(C)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CCOC(C)=O.ClCCl .",
"role": "assistant"
}
] | |
70,529
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][Cl]",
"[N][#C][C][=C][C][=C][Branch1][#Branch1][N][C][C][C][C][O][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#C]",
"[C][C][Branch1][C][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][C][C][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]"
],
"smiles": [
"CC(C)(C)C(=O)Cl",
"N#Cc1ccc(NCCCCO)c([N+](=O)[O-])c1",
"CC(C)(C)C(=O)OCCCCNc1ccc(C#N)cc1[N+](=O)[O-]"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "c1ccncc1 .",
"role": "assistant"
}
] | |
70,530
|
{
"selfies": [
"[C][C][Branch1][C][C][C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][Branch1][Ring2][C][C][O][C][C][Ring1][=Branch2][=C][C][=C][Ring1][P][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[O][=C][Branch1][C][Cl][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]",
"[C][C][Branch1][C][C][C][C][=C][C][Branch2][Ring2][#Branch1][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][#Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][C][C][Ring2][Ring1][Ring2][=C][C][=C][Ring2][Ring1][N][O][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]"
],
"smiles": [
"CC(C)Cc1cc(C(=O)N2CCN(CCO)CC2)ccc1OCc1ccc(F)cc1",
"O=C(Cl)c1ccc2c(c1)OCO2",
"CC(C)Cc1cc(C(=O)N2CCN(CCOC(=O)c3ccc4c(c3)OCO4)CC2)ccc1OCc1ccc(F)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCN(CC)CC.ClCCl .",
"role": "assistant"
}
] | |
70,531
|
{
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][N][N][C][=N][C][Branch1][C][C][=C][S][Ring1][=Branch1][C][=C][Ring1][=N][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[C][C][=C][S][C][Branch2][Ring2][Ring1][N][C][=C][C][Branch1][S][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring2][Ring1][Ring2][=N][Ring2][Ring1][#Branch2]"
],
"smiles": [
"CCOC(=O)c1cnc(Nc2nc(C)cs2)cc1Oc1cccc2ccccc12",
"Cc1csc(Nc2cc(Oc3cccc4ccccc34)c(C(=O)O)cn2)n1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1CCOC1.O .",
"role": "assistant"
}
] | |
70,532
|
{
"selfies": [
"[C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][C][C][=C][Ring1][Branch2]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]",
"[C][O][C][=C][C][=C][Branch1][C][F][C][Branch1][Ring1][C][Br][=C][Ring1][=Branch2]"
],
"smiles": [
"COc1ccc(F)c(C)c1",
"O=C1CCC(=O)N1Br",
"COc1ccc(F)c(CBr)c1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be ClC(Cl)(Cl)Cl .",
"role": "assistant"
}
] | |
70,533
|
{
"selfies": [
"[N][#C][C][=C][C][=C][NH1][N][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][C]",
"[O][O]",
"[N][C][=Branch1][C][=O][C][=C][C][=C][NH1][N][=C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][O][Ring1][=Branch1][C][Ring1][=C][=C][Ring2][Ring1][C]"
],
"smiles": [
"N#Cc1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1",
"OO",
"NC(=O)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CCO.O .",
"role": "assistant"
}
] | |
70,534
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=N][Ring1][Branch2]",
"[O][=N+1][Branch1][C][O-1][C][C][=C][N][Branch1][Ring2][C][C][O][N][=Ring1][Branch2]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)OCCn1ccc([N+](=O)[O-])n1",
"O=[N+]([O-])c1ccn(CCO)n1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,535
|
{
"selfies": [
"[C][C][Branch1][C][C][C][N]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[C][C][Branch1][C][C][C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]"
],
"smiles": [
"CC(C)CN",
"O=S(=O)(Cl)c1ccc(Br)cc1",
"CC(C)CNS(=O)(=O)c1ccc(Br)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,536
|
{
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][N][=Ring2][Ring1][Ring1]",
"[C][I]",
"[C][C][O][C][=Branch1][C][=O][C][C][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][C][C][N][=Ring2][Ring1][Ring2]"
],
"smiles": [
"CCOC(=O)c1cc(-c2ccccc2OCc2ccccc2)[nH]n1",
"CI",
"CCOC(=O)c1cc(-c2ccccc2OCc2ccccc2)n(C)n1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,537
|
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][C][C][Branch2][Ring2][#Branch1][O][C][=C][C][=C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][N][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring1][N][C][=C][Ring2][Ring1][Branch1][C][C][Ring2][Ring1][N]",
"[O][=C][Branch2][Ring1][=Branch1][N][C][=N][N][=C][Branch1][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][S][Ring1][N][C][=C][C][=C][Branch1][P][O][C][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2][C][=C][Ring1][S]"
],
"smiles": [
"COC(=O)C1CCC(Oc2ccc(C(=O)Nc3nnc(-c4cccc(Cl)c4)s3)cc2)CC1",
"O=C(Nc1nnc(-c2cccc(Cl)c2)s1)c1ccc(OC2CCC(C(=O)O)CC2)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be C1CCOC1.O .",
"role": "assistant"
}
] | |
70,538
|
{
"selfies": [
"[Br][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O]",
"[O][B][Branch1][C][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1]",
"[Br][C][=C][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=C][Ring1][=Branch1][C][=C][C][Ring2][Ring1][Ring2][=C][Ring2][Ring1][Branch2]"
],
"smiles": [
"Brc1ccc2cc(Br)ccc2c1",
"OB(O)c1cc2ccccc2c2ccccc12",
"Brc1ccc2cc(-c3cc4ccccc4c4ccccc34)ccc2c1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be Cc1ccccc1.O .",
"role": "assistant"
}
] | |
70,539
|
{
"selfies": [
"[C][O]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][C][Cl][=C][N][=C][Ring1][#Branch1][Cl]",
"[C][O][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N+1][=Branch1][C][=O][O-1]"
],
"smiles": [
"CO",
"O=[N+]([O-])c1cc(Cl)cnc1Cl",
"COc1ncc(Cl)cc1[N+](=O)[O-]"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CO.O .",
"role": "assistant"
}
] | |
70,540
|
{
"selfies": [
"[C][C][=Branch1][C][=O][O][C][Branch1][C][C][=O]",
"[O][=C][Branch1][#Branch1][C][C][N][C][Ring1][Ring2][N][C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][C][Ring1][O]",
"[C][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring2][C][C][Ring1][O][C][Ring1][P]"
],
"smiles": [
"CC(=O)OC(C)=O",
"O=C(C1CNC1)N1CCCN(C2CCC2)CC1",
"CC(=O)N1CC(C(=O)N2CCCN(C3CCC3)CC2)C1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,541
|
{
"selfies": [
"[C][C][=Branch1][C][=O][N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch2][Ring1][#Branch1][N][C][=N][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][C][=C][Ring1][O][Ring1][=C][=C][Ring2][Ring1][O]",
"[N][C][=C][C][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][=C][C][Branch2][Ring1][#Branch1][N][C][=N][C][=C][C][Branch1][Branch2][N][C][=C][C][=N][Ring1][Branch1][=C][C][=C][Ring1][O][Ring1][=C][=C][Ring2][Ring1][O]"
],
"smiles": [
"CC(=O)Nc1cc(-c2ccc(F)cc2)cc(-n2cnc3cc(-n4cccn4)ccc32)c1",
"Nc1cc(-c2ccc(F)cc2)cc(-n2cnc3cc(-n4cccn4)ccc32)c1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,542
|
{
"selfies": [
"[C][C][=C][C][=C][Branch2][Ring2][Branch2][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][=C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][Branch1][C][Br][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Ring1][C][=C][Ring2][Ring1][N]",
"[O][=C][C][=C][C][=C][Branch1][=Branch1][B][Branch1][C][O][O][C][=C][Ring1][=Branch2]",
"[C][C][=C][C][=C][Branch2][Branch1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][Branch1][=C][C][=C][C][=C][NH1][C][=C][C][Ring1][Branch1][=C][Ring1][=Branch2][C][=C][C][Branch1][=N][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2][=C][N][=C][Ring1][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring2][Ring1]"
],
"smiles": [
"Cc1ccc(S(=O)(=O)n2cc(-c3ccc4[nH]ccc4c3)c3cc(Br)cnc32)cc1",
"O=Cc1ccc(B(O)O)cc1",
"Cc1ccc(S(=O)(=O)n2cc(-c3ccc4[nH]ccc4c3)c3cc(-c4ccc(C=O)cc4)cnc32)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CC#N .",
"role": "assistant"
}
] | |
70,543
|
{
"selfies": [
"[N][#C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][C][=C][Ring1][=Branch2]",
"[O][=C][Branch1][#Branch2][N][N][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[N][#C][C][=C][C][=C][Branch2][Ring1][#C][C][=Branch1][C][=O][N][C][C][N][Branch1][P][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][S][C][=C][Ring2][Ring1][Branch2]"
],
"smiles": [
"N#Cc1ccc(C(=O)Cl)cc1",
"O=C(NN1CCNCC1)c1ccc(F)cc1",
"N#Cc1ccc(C(=O)N2CCN(NC(=O)c3ccc(F)cc3)CC2)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCOC(C)=O.ClCCl .",
"role": "assistant"
}
] | |
70,544
|
{
"selfies": [
"[C][C][=C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][=N][Ring1][#Branch1]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]",
"[C][N][C][=Branch1][C][=O][C][=C][Branch1][Ring1][C][Br][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][=C]"
],
"smiles": [
"Cc1cc(=O)n(C)c2ccc(F)cc12",
"O=C1CCC(=O)N1Br",
"Cn1c(=O)cc(CBr)c2cc(F)ccc21"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "ClC(Cl)(Cl)Cl .",
"role": "assistant"
}
] | |
70,545
|
{
"selfies": [
"[C][N][C][C][C][N][Branch1][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2][O]",
"[O][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][N][C][C][C][N][Branch1][C][C][C][C][Branch1][Ring2][C][Ring1][=Branch2][C][Ring1][Branch2][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CN1CC2CN(C)CC(C1)C2O",
"O=C(Cl)c1ccccc1",
"CN1CC2CN(C)CC(C1)C2OC(=O)c1ccccc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be c1ccncc1 .",
"role": "assistant"
}
] | |
70,546
|
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2]",
"[C][O][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]"
],
"smiles": [
"COC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1",
"COC(=O)C(C)(C)c1ccc(N)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CCO .",
"role": "assistant"
}
] | |
70,547
|
{
"selfies": [
"[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=C][N][Ring1][#Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][#Branch2]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]",
"[C][C][=C][C][Branch1][C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Branch1][C][Br][=C][N][Ring1][Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][=C][Ring2][Ring1][O]"
],
"smiles": [
"Cc1cc(C)c(-c2cccc3c2c(=O)ccn3Cc2ccccc2)c(C)c1",
"O=C1CCC(=O)N1Br",
"Cc1cc(C)c(-c2cccc3c2c(=O)c(Br)cn3Cc2ccccc2)c(C)c1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,548
|
{
"selfies": [
"[C][=C][C][C][C][C][Br]",
"[C][C][=C][N][Branch1][C][C][C][=Branch1][C][=O][NH1][C][Ring1][Branch2][=O]",
"[C][=C][C][C][C][C][N][C][=Branch1][C][=O][C][Branch1][C][C][=C][N][Branch1][C][C][C][Ring1][=Branch2][=O]"
],
"smiles": [
"C=CCCCCBr",
"Cc1cn(C)c(=O)[nH]c1=O",
"C=CCCCCn1c(=O)c(C)cn(C)c1=O"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CS(C)=O .",
"role": "assistant"
}
] | |
70,549
|
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][=C][Ring1][=C]",
"[O][=C][Branch1][C][O][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][=C][Ring1][=C]"
],
"smiles": [
"COC(=O)CCC(=O)c1ccc(-c2ccc(Br)cc2F)cc1",
"O=C(O)CCC(=O)c1ccc(-c2ccc(Br)cc2F)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "Cl .",
"role": "assistant"
}
] | |
70,550
|
{
"selfies": [
"[Br][C][C][C][C][Ring1][Ring1]",
"[O][=C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Branch1][C][O][=C][Ring1][O]",
"[O][=C][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][=C][Ring1][#C]"
],
"smiles": [
"BrCC1CC1",
"O=Cc1ccc(OC(F)F)c(O)c1",
"O=Cc1ccc(OC(F)F)c(OCC2CC2)c1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "Cc1ccccc1 .",
"role": "assistant"
}
] | |
70,551
|
{
"selfies": [
"[C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][O][C][=C][C][=C][Branch1][Ring1][C][O][C][=C][Ring1][Branch2]",
"[O][=S][Branch1][C][Cl][Cl]",
"[C][C][S][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][O][C][=C][C][=C][Branch1][Ring1][C][Cl][C][=C][Ring1][Branch2]"
],
"smiles": [
"Cc1sc(-c2ccccc2)nc1COc1ccc(CO)cc1",
"O=S(Cl)Cl",
"Cc1sc(-c2ccccc2)nc1COc1ccc(CCl)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "Cc1ccccc1 .",
"role": "assistant"
}
] | |
70,552
|
{
"selfies": [
"[C][C][=Branch1][C][=O][N][C][C][N]",
"[C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][C][Cl][=N][Ring1][#Branch2]",
"[C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][#Branch2][N][C][C][N][C][Branch1][C][C][=O][=N][Ring1][S]"
],
"smiles": [
"CC(=O)NCCN",
"COc1ccc([N+](=O)[O-])c(Cl)n1",
"COc1ccc([N+](=O)[O-])c(NCCNC(C)=O)n1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CCO .",
"role": "assistant"
}
] | |
70,553
|
{
"selfies": [
"[O][=C][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1]",
"[O][=C][C][=C][C][=C][Branch1][=C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][#C]"
],
"smiles": [
"O=C(Cl)c1ccccc1",
"O=Cc1ccc(O)cc1",
"O=Cc1ccc(OC(=O)c2ccccc2)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "CC(C)=O .",
"role": "assistant"
}
] | |
70,554
|
{
"selfies": [
"[C][C][C][C][C][=Branch1][C][=O][O]",
"[C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][Branch1][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=N][C][=C][Branch1][#C][O][C][C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring1][=C][C][=C][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2]",
"[C][C][C][C][C][C][=C][C][=C][Branch2][Ring2][#C][C][=C][C][=C][Branch2][Ring2][Ring1][C][=N][C][=C][Branch2][Ring1][#Branch1][O][C][C][Branch1][#Branch2][O][C][=Branch1][C][=O][C][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=N][Ring2][Ring1][Ring2][C][=C][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][S]"
],
"smiles": [
"CCCCC(=O)O",
"CCCCCc1ccc(-c2ccc(-c3ncc(OCC(O)C(F)(F)F)cn3)cc2)cc1",
"CCCCCc1ccc(-c2ccc(-c3ncc(OCC(OC(=O)CCCC)C(F)(F)F)cn3)cc2)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,555
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[N][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][Ring1][N]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][=N][Ring1][N]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"NCC1C2CN(Cc3ccccc3)CC12",
"CC(C)(C)OC(=O)NCC1C2CN(Cc3ccccc3)CC12"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "C1COCCO1.O .",
"role": "assistant"
}
] | |
70,556
|
{
"selfies": [
"[C][C][C][C][C][C][C][N][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][O][C][=C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][Ring1][#Branch2]",
"[C][C][C][C][C][C][C][N][Branch1][=C][C][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][P][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][C][=C][Ring2][Ring1][C]"
],
"smiles": [
"CCCCCCCNCCc1ccc(Cl)cc1",
"COC(=O)c1ccccc1COc1ccc(CC(=O)O)cc1",
"CCCCCCCN(CCc1ccc(Cl)cc1)C(=O)Cc1ccc(OCc2ccccc2C(=O)OC)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCOC(C)=O.CN(C)C=O .",
"role": "assistant"
}
] | |
70,557
|
{
"selfies": [
"[C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Ring1][=C]",
"[C][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][C][Ring1][N]"
],
"smiles": [
"CC(=O)N1CCc2ccc([N+](=O)[O-])cc2CC1",
"CC(=O)N1CCc2ccc(N)cc2CC1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,558
|
{
"selfies": [
"[C][C][Branch1][C][C][C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][O]",
"[C][I]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][O][C][C][Branch1][C][C][C]"
],
"smiles": [
"CC(C)COc1cc(Br)ccc1C(=O)O",
"CI",
"COC(=O)c1ccc(Br)cc1OCC(C)C"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CN(C)C=O .",
"role": "assistant"
}
] | |
70,559
|
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][C][C][C][N][C][C][C][Branch2][Ring2][Ring2][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][Branch1][N][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][Ring2][Ring2][C]",
"[C][C][Branch1][#C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][N][Branch2][Ring1][P][C][C][C][C][N][Branch1][O][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][Ring1][=C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"COC(=O)CCCCCN1CCC(CN(C(=O)OC(C)(C)C)C(C)c2cccc3ccccc23)C(c2cccc(F)c2)C1",
"CC(c1cccc2ccccc12)N(CC1CCN(CCCCCC(=O)O)CC1c1cccc(F)c1)C(=O)OC(C)(C)C"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,560
|
{
"selfies": [
"[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][O][C][C][Si][Branch1][C][C][Branch1][C][C][C][C][=N][C][=C][Branch1][P][C][=N][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][N][=C][Ring2][Ring1][O][Ring1][S]",
"[C][C][Branch1][C][C][N][C][=Branch1][C][=O][C][=C][NH1][C][=N][C][=C][Branch1][P][C][=N][NH1][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch2][Ring1][#Branch1][N][=C][Ring2][Ring1][Ring1][Ring1][S]"
],
"smiles": [
"CC(C)NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3n[nH]c4cc(Cl)ccc34)nc12",
"CC(C)NC(=O)c1c[nH]c2ncc(-c3n[nH]c4cc(Cl)ccc34)nc12"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,561
|
{
"selfies": [
"[C][C][Branch1][C][C][N]",
"[C][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][Ring1][C][C][=C][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=C][Ring1][O][=C][Branch1][C][C][C][Ring2][Ring1][Branch1][=O]",
"[C][C][=C][Branch1][C][C][C][=Branch1][C][=O][C][Branch2][Ring1][Branch2][C][C][=C][C][=C][Branch1][=N][C][C][C][=Branch1][C][=O][N][C][Branch1][C][C][C][C][=C][Ring1][=C][=C][Branch1][C][C][C][Ring2][Ring1][Branch2][=O]"
],
"smiles": [
"CC(C)N",
"CC1=C(C)C(=O)C(Cc2ccc(CCC(=O)O)cc2)=C(C)C1=O",
"CC1=C(C)C(=O)C(Cc2ccc(CCC(=O)NC(C)C)cc2)=C(C)C1=O"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,562
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"NC1(C(=O)O)CC1",
"CC(C)(C)OC(=O)NC1(C(=O)O)CC1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1COCCO1.O .",
"role": "assistant"
}
] | |
70,563
|
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][O][C][Branch1][Ring1][O][C][=C][Ring1][=Branch2]",
"[O][C][C][C][C][C][Ring1][Branch1]",
"[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][=Branch2][O][C][C][C][C][C][Ring1][Branch1][C][Branch1][Ring1][O][C][=C][Ring1][=C]"
],
"smiles": [
"COC(=O)Cc1ccc(O)c(OC)c1",
"OC1CCCC1",
"COC(=O)Cc1ccc(OC2CCCC2)c(OC)c1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be C1CCOC1 .",
"role": "assistant"
}
] | |
70,564
|
{
"selfies": [
"[C][=C][C][N][C][C][N][Branch2][Ring1][Branch1][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O][C][C][Ring2][Ring1][Ring2]",
"[C][=C][C][N][C][C][N][Branch1][Branch1][C][C][C][N][C][C][Ring1][#Branch2]"
],
"smiles": [
"C=CCN1CCN(CCCN2C(=O)c3ccccc3C2=O)CC1",
"C=CCN1CCN(CCCN)CC1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,565
|
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][S][C][=C][N][Branch2][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][=Branch1][Ring1][Branch2]",
"[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][Branch2][S][C][C][=Branch1][C][=O][O][=C][N][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]"
],
"smiles": [
"COC(=O)CSc1cn(S(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccc(OC)cc12",
"COc1ccc2c(c1)c(SCC(=O)O)cn2S(=O)(=O)c1ccc(Cl)c(Cl)c1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,566
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C][N][Branch1][#Branch1][C][C][C][C][Ring1][Ring1][C][=Branch1][C][=O][C][=N][C][Branch2][Ring1][Ring1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][Ring1][O][=N][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][Branch2][Ring2][N][C][=N][C][Branch2][Ring1][Ring1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][C][C][C][Ring1][O][=N][C][Branch1][C][O][=C][Ring2][Ring1][Ring1][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][Ring2][C][C][O][C][C][C][C][Ring1][Ring1]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)OCCN(CC1CC1)C(=O)c1nc(CC2(c3ccccn3)CCCC2)nc(O)c1OCc1ccccc1",
"O=C(c1nc(CC2(c3ccccn3)CCCC2)nc(O)c1OCc1ccccc1)N(CCO)CC1CC1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be C1CCOC1 .",
"role": "assistant"
}
] | |
70,567
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O]",
"[O][=C][C][C][C][=Branch1][C][=O][N][Ring1][=Branch1][Br]",
"[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][O]"
],
"smiles": [
"CC(C)(C)c1ccccc1O",
"O=C1CCC(=O)N1Br",
"CC(C)(C)c1cc(Br)ccc1O"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CC#N .",
"role": "assistant"
}
] | |
70,568
|
{
"selfies": [
"[Br][C][=C][C][=C][C][=C][Branch1][C][Br][C][=C][C][Ring1][#Branch1][=C][Ring1][O]",
"[O][B][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[Br][C][=C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][N][=C][Ring1][S]"
],
"smiles": [
"Brc1ccc2cc(Br)ccc2c1",
"OB(O)c1ccccc1",
"Brc1ccc2cc(-c3ccccc3)ccc2c1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "Cc1ccccc1.O .",
"role": "assistant"
}
] | |
70,569
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][Ring1][=Branch1][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][C][F][=C][C][Branch1][C][F][=C][Ring1][Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][Branch2][Ring1][Ring2][O][C][=C][C][Branch1][C][F][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][C][Ring1][S][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CC(O)CC1CO[Si](C)(C)C(C)(C)C",
"O=[N+]([O-])c1cc(F)cc(F)c1",
"CC(C)(C)OC(=O)N1CC(Oc2cc(F)cc([N+](=O)[O-])c2)CC1CO[Si](C)(C)C(C)(C)C"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,570
|
{
"selfies": [
"[C][=C][C][Branch1][C][C][Branch1][=Branch2][C][C][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][Branch1][=C][O][C][C][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P]",
"[C][=C][C][Branch1][C][C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][C][=C][C][=C][Branch1][=C][O][C][C][C][N][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][P]"
],
"smiles": [
"C=CC(C)(CC(=O)OCC)Cc1ccc(OCCCNc2ccccn2)cc1",
"C=CC(C)(CC(=O)O)Cc1ccc(OCCCNc2ccccn2)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be O .",
"role": "assistant"
}
] | |
70,571
|
{
"selfies": [
"[C][C][Branch2][Branch1][Branch2][N][C][=Branch1][C][=O][C][=C][N][Branch1][=N][C][O][C][C][Si][Branch1][C][C][Branch1][C][C][C][C][=N][C][=C][Branch2][Ring1][Ring2][C][=N][N][Branch1][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][O][Ring1][#Branch1][N][=C][Ring2][Ring1][N][Ring1][P][C][=C][O][C][=N][Ring1][Branch1]",
"[C][C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][=C][NH1][C][=N][C][=C][Branch2][Ring1][Ring2][C][=N][N][Branch1][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][O][Ring1][#Branch1][N][=C][Ring2][Ring1][Ring2][Ring1][P][C][=C][O][C][=N][Ring1][Branch1]"
],
"smiles": [
"CC(NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1cocn1",
"CC(NC(=O)c1c[nH]c2ncc(-c3nn(C)c4cc(F)ccc34)nc12)c1cocn1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,572
|
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][C][O][Ring1][=Branch1]",
"[C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][O][Ring1][Branch2]"
],
"smiles": [
"COC(=O)c1ccc(C)o1",
"Cc1ccc(C(=O)O)o1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be CO.O .",
"role": "assistant"
}
] | |
70,573
|
{
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Branch1][C][O][=C][Ring1][=C][C][=Branch1][C][=O][O][C][C]",
"[C][C][O][C][=Branch1][C][=O][C][=N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Branch1][C][O][=C][Ring1][N][C][=Branch1][C][=O][O][C][C]"
],
"smiles": [
"CCOC(=O)c1nc2ccc([N+](=O)[O-])cc2c(O)c1C(=O)OCC",
"CCOC(=O)c1nc2ccc(N)cc2c(O)c1C(=O)OCC"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "CCO .",
"role": "assistant"
}
] | |
70,574
|
{
"selfies": [
"[N][C][=C][C][Branch1][P][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][=Branch2][=C][Branch1][C][Cl][C][=C][Ring1][P][F]",
"[O][=C][Branch1][=C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]",
"[O][=C][Branch2][Ring1][S][N][C][=C][C][Branch1][P][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][=Branch2][=C][Branch1][C][Cl][C][=C][Ring1][P][F][C][Branch1][C][F][Branch1][C][F][F]"
],
"smiles": [
"Nc1cc(Oc2ccc([N+](=O)[O-])cn2)c(Cl)cc1F",
"O=C(OC(=O)C(F)(F)F)C(F)(F)F",
"O=C(Nc1cc(Oc2ccc([N+](=O)[O-])cn2)c(Cl)cc1F)C(F)(F)F"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "C1CCOC1 .",
"role": "assistant"
}
] | |
70,575
|
{
"selfies": [
"[C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][C][N+1][=Branch1][C][=O][O-1]",
"[C][O][C][=C][C][Branch2][Ring1][Branch1][N][C][C][C][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][=O][C][C][Ring1][N][=C][C][=C][Ring2][Ring1][C][N]"
],
"smiles": [
"COc1cc(N2CCC(CCS(C)(=O)=O)CC2)ccc1[N+](=O)[O-]",
"COc1cc(N2CCC(CCS(C)(=O)=O)CC2)ccc1N"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be C1CCOC1.Cl .",
"role": "assistant"
}
] | |
70,576
|
{
"selfies": [
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][=C][NH1][C][=Ring1][Branch1]",
"[O][=S][=Branch1][C][=O][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][Ring1][Branch1]"
],
"smiles": [
"O=S(=O)(Cl)c1ccccc1",
"c1cc[nH]c1",
"O=S(=O)(c1ccccc1)n1cccc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Please propose potential solvents that might have been utilized in the provided chemical reaction.",
"role": "user"
},
{
"content": "Sure. A potential answer could be: CN(C)C=O .",
"role": "assistant"
}
] | |
70,577
|
{
"selfies": [
"[Br][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][Ring1][O]",
"[O][=C][C][C][C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][=C][Ring2][Ring1][C]"
],
"smiles": [
"BrCc1ccccc1",
"O=C1CCCc2ccc(O)cc21",
"O=C1CCCc2ccc(OCc3ccccc3)cc21"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,578
|
{
"selfies": [
"[N][#C][C][C][C][=C][C][=C][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1]",
"[N][C][C][C][C][=C][C][=C][C][NH1][N][=C][C][Ring1][=Branch2][=Ring1][Branch1]"
],
"smiles": [
"N#CCCc1cccc2[nH]ncc12",
"NCCCc1cccc2[nH]ncc12"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be C1CCOC1 .",
"role": "assistant"
}
] | |
70,579
|
{
"selfies": [
"[C][C][=Branch1][C][=O][Cl]",
"[C][C][Branch1][C][C][Branch1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N]",
"[C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"CC(=O)Cl",
"CC(C)(C)c1ccccc1N",
"CC(=O)Nc1ccccc1C(C)(C)C"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be C1CCOC1 .",
"role": "assistant"
}
] | |
70,580
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][Ring1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][Branch1][C][Cl][=C][Ring1][Branch2][C][C][Ring1][S]",
"[N][C][=C][C][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][=C][Cl]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(N)c(Cl)c2)CC1",
"Nc1ccc(C(=O)N2CCNCC2)cc1Cl"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given this chemical reaction <molecule_2d>>><molecule_2d>, what are some solvents that could have been used?",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,581
|
{
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][S][C][=Ring2][Ring1][Branch1][O][C]",
"[C][O][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][N][Ring1][Branch2][C][=C][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][O][C][C][Ring1][=Branch1][C][=N][Ring1][S]"
],
"smiles": [
"CCOC(=O)c1cnn(-c2ccc(C(=O)NCC3CCOCC3)cn2)c1OC",
"COc1c(C(=O)O)cnn1-c1ccc(C(=O)NCC2CCOCC2)cn1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "C1COCCO1 .",
"role": "assistant"
}
] | |
70,582
|
{
"selfies": [
"[C][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][Ring1][Branch1]",
"[C][C][Branch1][C][O][C][C][C][C][C][C][C][C][Ring1][Branch1]"
],
"smiles": [
"CC(=O)CCCC1CCCC1",
"CC(O)CCCC1CCCC1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following chemical reaction <molecule_2d>>><molecule_2d>, what are some potential solvents that could have been employed?",
"role": "user"
},
{
"content": "CO .",
"role": "assistant"
}
] | |
70,583
|
{
"selfies": [
"[C][#C][C][O][C][=C][Branch1][C][F][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2][O][C]",
"[C][C][C][C][C][C][C][Ring1][=Branch1][N]",
"[C][#C][C][O][C][=C][Branch1][C][F][C][=C][Branch1][#C][C][=Branch1][C][=O][N][C][C][C][C][C][C][Ring1][=Branch1][C][C][=C][Ring1][P][O][C]"
],
"smiles": [
"C#CCOc1c(F)cc(C(=O)Cl)cc1OC",
"CC1CCCCC1N",
"C#CCOc1c(F)cc(C(=O)NC2CCCCC2C)cc1OC"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CCN(CC)CC .",
"role": "assistant"
}
] | |
70,584
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N][N]",
"[C][C][=C][C][Branch2][Ring1][Branch1][C][O][C][=C][C][=C][Branch1][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][Cl][C][=C][Ring1][#Branch2][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring1][=Branch1]",
"[C][C][=C][C][Branch2][Branch1][#Branch2][C][O][C][=C][C][=C][Branch2][Ring2][N][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring2][Ring1][=N][=C][C][=C][C][=C][C][Ring1][=Branch1][=N][Ring2][Ring2][=Branch2]"
],
"smiles": [
"CC(C)(C)OC(=O)C1CN(C(=O)OC(C)(C)C)CC1N",
"Cc1cc(COc2ccc(S(=O)(=O)Cl)cc2)c2ccccc2n1",
"Cc1cc(COc2ccc(S(=O)(=O)NC3CN(C(=O)OC(C)(C)C)CC3C(=O)OC(C)(C)C)cc2)c2ccccc2n1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CN(C)C=O .",
"role": "assistant"
}
] | |
70,585
|
{
"selfies": [
"[N][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[O][=C][=N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][F]",
"[N][C][=Branch1][C][=O][C][NH1][C][=N][C][=Ring1][Branch1][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][=C][Ring1][#Branch2][F][C][=C][Ring2][Ring1][Branch1]"
],
"smiles": [
"NC(=O)c1[nH]cnc1-c1ccc(N)cc1",
"O=C=Nc1cc(C(F)(F)F)ccc1F",
"NC(=O)c1[nH]cnc1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be C1CCOC1 .",
"role": "assistant"
}
] | |
70,586
|
{
"selfies": [
"[N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][=C][C][=C][N][=C][Ring1][#Branch2][Ring1][=Branch1]"
],
"smiles": [
"Nc1cccc2cccnc12",
"O=[N+]([O-])c1ccccc1S(=O)(=O)Cl",
"O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1cccc2cccnc12"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "ClCCl .",
"role": "assistant"
}
] | |
70,587
|
{
"selfies": [
"[C][O][C][Cl]",
"[O][=C][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][O][=C][Ring1][#C]",
"[C][O][C][O][C][=C][C][Branch1][Ring1][C][=O][=C][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"COCCl",
"O=Cc1ccc(OCc2ccccc2)c(O)c1",
"COCOc1cc(C=O)ccc1OCc1ccccc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CCOCC.ClCCl .",
"role": "assistant"
}
] | |
70,588
|
{
"selfies": [
"[N][#C][C][=C][C][=C][Branch1][C][O][C][Branch1][C][Br][=C][Ring1][Branch2]",
"[O][C][C][C][Br]",
"[N][#C][C][=C][C][=C][Branch1][=Branch1][O][C][C][C][O][C][Branch1][C][Br][=C][Ring1][N]"
],
"smiles": [
"N#Cc1ccc(O)c(Br)c1",
"OCCCBr",
"N#Cc1ccc(OCCCO)c(Br)c1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please provide possible solvents based on the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CC(C)=O .",
"role": "assistant"
}
] | |
70,589
|
{
"selfies": [
"[C][C][N][=C][Branch2][Branch1][#C][N][C][C][N][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Ring1][=Branch2][C][Ring2][Ring1][P][S][C][=Ring2][Ring2][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][N][=C][Branch2][Branch1][#C][N][C][C][N][Branch2][Ring1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][Branch2][Ring1][=Branch1][C][=Branch1][C][=O][N][C][C][=C][C][=C][Branch1][=Branch1][C][Branch1][C][C][C][N][=C][Ring1][=Branch2][C][Ring2][Ring1][P][S][C][=Ring2][Ring2][=Branch1][C][=Branch1][C][=O][O]"
],
"smiles": [
"Cc1nc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C(C(=O)NCc3ccc(C(C)C)nc3)C2)sc1C(=O)OC(C)(C)C",
"Cc1nc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C(C(=O)NCc3ccc(C(C)C)nc3)C2)sc1C(=O)O"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> From the provided chemical reaction, propose some possible solvents that could have been used.",
"role": "user"
},
{
"content": "O=C(O)C(F)(F)F .",
"role": "assistant"
}
] | |
70,590
|
{
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][P][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][C][=C][Ring1][S]",
"[N][C][=C][C][=C][Branch1][P][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][O][C][Ring1][=Branch1][C][=C][Ring1][S]"
],
"smiles": [
"O=[N+]([O-])c1ccc(Oc2ccc3c(c2)COC3)cc1",
"Nc1ccc(Oc2ccc3c(c2)COC3)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be CCO .",
"role": "assistant"
}
] | |
70,591
|
{
"selfies": [
"[C][I]",
"[O][C][=C][C][=C][Branch1][Branch1][C][C][C][I][C][=C][Ring1][#Branch2]",
"[C][O][C][=C][C][=C][Branch1][Branch1][C][C][C][I][C][=C][Ring1][#Branch2]"
],
"smiles": [
"CI",
"Oc1ccc(CCCI)cc1",
"COc1ccc(CCCI)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "CC(C)=O .",
"role": "assistant"
}
] | |
70,592
|
{
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][Ring1][N][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]",
"[O][=C][Branch2][Ring1][O][N][C][C][=Branch1][C][=O][N][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][N][C][=Branch1][C][=O][O][C][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][NH1][Ring1][=Branch2]"
],
"smiles": [
"CC(C)(C)OC(=O)C1CN(c2ccccc2)C(=O)C1NC(=O)c1cc2ccccc2[nH]1",
"O=C(NC1C(=O)N(c2ccccc2)CC1C(=O)O)c1cc2ccccc2[nH]1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be O=C(O)C(F)(F)F .",
"role": "assistant"
}
] | |
70,593
|
{
"selfies": [
"[Br][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]",
"[N][C][=N][C][=C][C][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][NH1][C][Ring1][#C][=N][Ring2][Ring1][Ring1]",
"[N][C][=N][C][=C][C][=C][Branch1][=N][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=O][N][Branch1][=N][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][C][Ring2][Ring1][#Branch1][=N][Ring2][Ring1][O]"
],
"smiles": [
"BrCc1cccc(Br)c1",
"Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)[nH]c2n1",
"Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(Cc3cccc(Br)c3)c2n1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Given the following reaction <molecule_2d>.<molecule_2d>>><molecule_2d>, what are some possible solvents that could have been utilized?",
"role": "user"
},
{
"content": "CN(C)C=O .",
"role": "assistant"
}
] | |
70,594
|
{
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Branch1][C][C][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl]",
"[C][C][Branch1][Ring1][C][O][C][=N][C][=C][C][=C][Ring1][=Branch1][Cl]"
],
"smiles": [
"CCOC(=O)C(C)c1ncccc1Cl",
"CC(CO)c1ncccc1Cl"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you suggest some solvents that might have been used in the given chemical reaction? <molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "A probable solvent could be C1CCOC1 .",
"role": "assistant"
}
] | |
70,595
|
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O]",
"[C][C][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][C][=Ring1][O][C][O][C][=C][C][=C][Branch1][Ring1][C][Cl][C][=C][Ring1][Branch2]",
"[C][O][C][=Branch1][C][=O][C][C][=C][C][Branch1][Ring1][O][C][=C][C][=C][Ring1][Branch2][O][C][C][=C][C][=C][Branch2][Ring1][Branch1][O][C][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][=Ring1][O][C][C][=C][Ring2][Ring1][Ring2]"
],
"smiles": [
"COC(=O)Cc1cc(OC)ccc1O",
"Cc1oc(-c2ccccc2)nc1COc1ccc(CCl)cc1",
"COC(=O)Cc1cc(OC)ccc1OCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "What solvents could have been utilized in the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "O .",
"role": "assistant"
}
] | |
70,596
|
{
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][Cl]",
"[F][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][O][C][=Branch1][C][=O][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][=N][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][F][C][=C][Ring1][=C]"
],
"smiles": [
"COC(=O)CCC(=O)Cl",
"Fc1cc(Br)ccc1-c1ccccc1",
"COC(=O)CCC(=O)c1ccc(-c2ccc(Br)cc2F)cc1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "<molecule_2d>.<molecule_2d>>><molecule_2d> Based on the given chemical reaction, can you propose some likely solvents that might have been utilized?",
"role": "user"
},
{
"content": "A possible solvent can be ClCCl .",
"role": "assistant"
}
] | |
70,597
|
{
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][#C]",
"[N][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring1][#C]"
],
"smiles": [
"O=[N+]([O-])c1ccc(OCc2ccccn2)c(Cl)c1",
"Nc1ccc(OCc2ccccn2)c(Cl)c1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Based on the given chemical reaction <molecule_2d>>><molecule_2d>, suggest some possible solvents.",
"role": "user"
},
{
"content": "The solvent can be CC(=O)O.CCOC(C)=O .",
"role": "assistant"
}
] | |
70,598
|
{
"selfies": [
"[C][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][O][C][C][Branch1][C][Cl][Branch1][C][Cl][Cl]",
"[C][=C][C][=C][Branch2][Ring1][C][C][=N][S][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=N][Ring1][O][C][=C][Ring1][P]",
"[C][N][N][=C][C][=C][Ring1][Branch1][N][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][S][Ring1][O][C][C][Ring1][P]"
],
"smiles": [
"Cn1nccc1NC(=O)OCC(Cl)(Cl)Cl",
"c1ccc(-c2nsc(N3CCNCC3)n2)cc1",
"Cn1nccc1NC(=O)N1CCN(c2nc(-c3ccccc3)ns2)CC1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Can you provide potential solvents for the following chemical reaction? <molecule_2d>.<molecule_2d>>><molecule_2d>",
"role": "user"
},
{
"content": "CS(C)=O .",
"role": "assistant"
}
] | |
70,599
|
{
"selfies": [
"[C][C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][N][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=N][C][Branch1][S][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][=C][Ring1][=C]",
"[C][C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][C][Branch2][Ring1][#Branch2][C][=Branch1][C][=O][C][=C][N][Branch1][=N][S][=Branch1][C][=O][=Branch1][C][=O][N][Branch1][C][C][C][C][=N][Ring1][O][=C][Ring2][Ring1][Ring1]"
],
"smiles": [
"CCS(=O)(=O)Cl",
"CN(C)S(=O)(=O)n1cnc(C(=O)c2cccc(N)c2)c1",
"CCS(=O)(=O)Nc1cccc(C(=O)c2cn(S(=O)(=O)N(C)C)cn2)c1"
]
}
|
[
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible solvents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the solvents. We provide the SMILES of the reactions.",
"role": "system"
},
{
"content": "Please suggest some possible solvents that could have been used in the following chemical reaction <molecule_2d>.<molecule_2d>>><molecule_2d>.",
"role": "user"
},
{
"content": "c1ccncc1 .",
"role": "assistant"
}
] |
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