problem
stringlengths 236
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| answer
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Using CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCN(C(=O)OC(C)(C)C)C4)no2)cc1C#N to produce CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCNC4)no2)cc1C#N, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1", "CO"], "agent": ["Cl"]} |
Using CC1(C)CCSc2ccccc21, CC(=O)Cl to produce CC(=O)c1ccc2c(c1)C(C)(C)CCS2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["S=C=S"], "agent": ["[Al+3]", "[Cl-]"]} |
Using CSc1ncc(C(O)c2cn(S(=O)(=O)c3ccccc3)c3ncc(Cl)cc23)cn1 to produce CSc1ncc(Cc2cn(S(=O)(=O)c3ccccc3)c3ncc(Cl)cc23)cn1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O=C(O)C(F)(F)F", "ClCCl"], "agent": ["CC[SiH](CC)CC"]} |
Using FC(F)(F)c1ccnc(Cl)n1, Cc1nc(C#Cc2ccnc(Cl)c2)c[nH]1 to produce Cc1nc(C#Cc2ccnc(Cl)c2)cn1-c1nccc(C(F)(F)F)n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using Cc1cc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(=O)O, O=C1CNCN1 to produce Cc1cc(C2=NOC(c3cc(Cl)cc(C(F)(F)F)c3)(C(F)(F)F)C2)ccc1C(=O)N1CNC(=O)C1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "CCN(C(C)C)C(C)C"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C", "Cl"]} |
Using O=CC(=O)O, NNc1ccc(C(F)(F)F)cc1 to produce O=C(O)C=NNc1ccc(C(F)(F)F)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["Cl"]} |
Using c1cnc(N2CC[N+]3(CCCC3)CC2)nc1, O=C1CC2(CCCC2)CC(=O)N1 to produce O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Br-]", "O=C([O-])[O-]", "[K+]"]} |
Using C[S+](C)(C)=O, Cc1cccc(C=O)c1O to produce Cc1cccc2c1OCC2O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Cl-]", "[Na+]", "[H-]"]} |
Using O=C(O)C(F)F, NC[C@H]1CN(c2ccc(I)c(F)c2)C(=O)O1 to produce O=C(NC[C@H]1CN(c2ccc(I)c(F)c2)C(=O)O1)C(F)F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl", "CCN(C(C)C)C(C)C"], "agent": ["CCN=C=NCCCN(C)C"]} |
Using CN(C)C=O, O=Cc1cncc(-c2cc3ccc(Cl)cc3[nH]2)c1 to produce Cn1c(-c2cncc(C=O)c2)cc2ccc(Cl)cc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["[Na+]", "[H-]"]} |
Using CCCC[Sn](CCCC)(CCCC)c1ccccc1, CCCOc1ccc2c(c1)C(c1ccc(OC)cc1OS(=O)(=O)C(F)(F)F)C(C(=O)OC)C2c1ccc2c(c1)OCO2 to produce CCCOc1ccc2c(c1)C(c1ccc(OC)cc1-c1ccccc1)C(C(=O)OC)C2c1ccc2c(c1)OCO2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1", "CCOC(C)=O"], "agent": ["[Cl-]", "[Li+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using NNc1ccc(S(N)(=O)=O)cc1, O=C1Nc2ccc3[nH]ncc3c2C1=O to produce NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc4[nH]ncc4c32)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O", "O"], "agent": ["Cl"]} |
Using Nc1cnccn1, CC(C)(C)C1=CC(=O)C=C(C(C)(C)C)C1=O to produce CC(C)(C)C1=CC(=Nc2cnccn2)C=C(C(C)(C)C)C1=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(Cl)Cl", "c1ccncc1"], "agent": ["[Al+3]", "[Cl-]"]} |
Using Nc1nc2ccc([N+](=O)[O-])cc2s1 to produce Nc1ccc2nc(N)sc2c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Ni]"]} |
Using CNOC, CC(C)(C)OC(=O)N1CCN(c2ncc(C(=O)O)cn2)CC1 to produce CON(C)C(=O)c1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl", "CCN(CC)CC"], "agent": ["CCN=C=NCCCN(C)C", "On1nnc2ccccc21"]} |
Using [C-]#N, FC(F)(F)c1cc(Br)ccc1CBr to produce N#CCc1ccc(Br)cc1C(F)(F)F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO", "O"], "agent": ["[K+]"]} |
Using CCOC(=O)c1c[nH]nc1N, COc1ccc(CCl)cc1 to produce CCOC(=O)c1cn(Cc2ccc(OC)cc2)nc1N, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using COCOc1cc(OCOC)cc(C(=O)OC)c1 to produce COCOc1cc(CO)cc(OCOC)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOCC"], "agent": ["[Al+3]", "[Li+]", "[H-]"]} |
Using CC(=O)OC(c1nc2nc(C)c3c(n2n1)CCC3)C1(Br)C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]21 to produce Cc1nc2nc(/C=C3/C(=O)N4C(C(=O)O)=CS[C@H]34)nn2c2c1CCC2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N", "C1CCOC1"], "agent": ["O=P([O-])([O-])[O-]", "[Pd]"]} |
Using ON=Cc1ccc(C(F)(F)F)cc1 to produce NCc1ccc(C(F)(F)F)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["[H][H]", "[Pd]"]} |
Using CCOC(=O)CC(=O)C(F)(F)F, NNc1ccccc1 to produce Oc1cc(C(F)(F)F)nn1-c1ccccc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["C", "Cl"]} |
Using CC(C)N1CC2N(C(=O)C(NC(=O)OCc3ccccc3)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)cc2)C1=O to produce CC(C)N1CC2N(C(=O)C(N)CN2S(=O)(=O)c2ccc(Cl)cc2Cl)C(Cc2ccc(Cl)cc2)C1=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N", "CO"], "agent": ["C[Si](C)(C)I"]} |
Using COC(=O)C[C@@H](O)C(=O)N1CCN(c2nc(-c3ccccc3O)nc3cc(C)ccc23)CC1 to produce Cc1ccc2c(N3CCN(C(=O)[C@H](O)CC(=O)O)CC3)nc(-c3ccccc3O)nc2c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Li]O"]} |
Using COc1ccc2cc([C@H](C)C(=O)O)ccc2c1, O=C1c2ccccc2C(=O)N1O to produce COc1ccc2cc([C@H](C)C(=O)ON3C(=O)c4ccccc4C3=O)ccc2c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "ClCCl"], "agent": ["CCN=C=NCCCN(C)C", "Cl"]} |
Using CC(C)(C)OC(=O)NC1CCN(C2CCOCC2)CC1 to produce NC1CCN(C2CCOCC2)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1", "CO"], "agent": ["Cl"]} |
Using CSSC, O=C(O)c1ccc(Cl)c(F)c1 to produce CSc1c(C(=O)O)ccc(Cl)c1F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Li]CCCC", "Cl"]} |
Using CCOC(=O)C(C(C)=O)C(C)(C)C(Cl)CC(Cl)(Cl)Cl to produce CCOC(=O)C1(C(C)=O)C(CC(Cl)(Cl)Cl)C1(C)C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "agent": ["Cl", "[OH-]", "[Ba+2]"]} |
Using NCCCC(=O)O, O=C(Cl)OCc1ccccc1 to produce O=C(O)CCCNC(=O)OCc1ccccc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CC(C)=O"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using OC1CCCc2cccnc21 to produce O=C1CCCc2cccnc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl"], "agent": ["O=[Mn]=O"]} |
Using CC(C)(C)[Si](C)(C)Cl, N#CCc1ccc(O)cc1 to produce CC(C)(C)[Si](C)(C)Oc1ccc(CC#N)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "CCOCC"], "agent": ["c1c[nH]cn1"]} |
Using O=C([O-])[O-], O=C1CCc2cc(O)ccc2N1 to produce COc1ccc2c(c1)CCC(=O)N2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N"], "agent": ["[K+]"]} |
Using O=C(O)c1ccc(C(=O)O)cc1 to produce O=C([O-])c1ccc(C(=O)[O-])cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO", "c1ccccc1"], "agent": ["CCCC[N+](CCCC)(CCCC)CCCC", "[OH-]"]} |
Using N#CCCCBr, Oc1cccc(CN2CCCCC2)c1 to produce N#CCCCOc1cccc(CN2CCCCC2)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using O=[N+]([O-])c1ccc2c(cnn2Cc2cccc(F)c2)c1 to produce Nc1ccc2c(cnn2Cc2cccc(F)c2)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["[Pd]"]} |
Using CC(C)(C)OC(=O)NC1CCN(CCO)CC1 to produce NC1CCN(CCO)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "agent": ["Cl"]} |
Using C1COCCN1, O=Cc1cc(Br)ccc1F to produce Fc1ccc(Br)cc1CN1CCOCC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(=O)O", "ClCCCl"], "agent": ["[Na+]", "[Na]", "O=C([O-])O"]} |
Using CC(C)Cn1c(=O)n(C)c(=O)c2cc(C(O)c3cccc(F)c3)sc21 to produce CC(C)Cn1c(=O)n(C)c(=O)c2cc(Cc3cccc(F)c3)sc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O=C(O)C(F)(F)F"], "agent": ["[Na+]", "CC[SiH](CC)CC", "[OH-]"]} |
Using CCCCc1ncc(CO)n1Cc1ccccc1Cl to produce CCCCc1ncc(C=O)n1Cc1ccccc1Cl, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["[Mn+4]", "[O-2]"]} |
Using ClC1CCOCC1, CC(=O)C=CN(C)C to produce CC(=O)C=CC1CCOCC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["II"]} |
Using Brc1cccc(Br)n1, COC(=O)CO to produce COC(=O)COc1cccc(Br)n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[H-]"]} |
Using CCCc1nc(C(C)(C)O)c(C(=O)OCC)[nH]1 to produce CCCc1nc(C(C)(C)O)c(C(=O)O)[nH]1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Li+]", "Cl", "[OH-]"]} |
Using NC1CN(S(=O)(=O)O)C1=O, O=C(Cl)Cc1ccccc1 to produce O=C(Cc1ccccc1)NC1CN(S(=O)(=O)[O-])C1=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["O=P(O)(O)O", "[Na+]", "O=C([O-])O"]} |
Using Clc1cncc(Cl)n1, OCc1ccccc1 to produce Clc1cncc(OCc2ccccc2)n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CS(C)=O"], "agent": ["CC(C)(C)[O-]", "[K+]"]} |
Using CC(C)(C)[Si](C)(C)Cl, Oc1ccc(Cl)cc1Cl to produce CC(C)(C)[Si](C)(C)Oc1ccc(Cl)cc1Cl, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["c1c[nH]cn1"]} |
Using O=C1C=C([N+](=O)[O-])C(=O)c2ccccc21, O=C1C(Cl)=C(Cl)C(=O)c2ccccc21 to produce O=C1C(O)=C([N+](=O)[O-])C(=O)c2ccccc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CO"], "agent": ["O=[N+]([O-])[O-]", "[Na+]"]} |
Using CC(C)[Si](Cl)(C(C)C)C(C)C, Oc1ccc(Br)cc1 to produce CC(C)[Si](Oc1ccc(Br)cc1)(C(C)C)C(C)C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["c1c[nH]cn1"]} |
Using C=CCBr, CC(C)(C)c1ccccc1O to produce C=CCOc1ccccc1C(C)(C)C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O", "CC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using CC(O)c1ccco1, C1CCOC1 to produce Cc1occc(=O)c1O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["ClCl", "BrBr"]} |
Using COC(=O)c1nsc(Cl)c1Cl to produce OCc1nsc(Cl)c1Cl, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "agent": ["[Na+]", "[BH4-]"]} |
Using COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O to produce COc1cc(CC2COCC2Cc2ccc(O)c(OC)c2)ccc1O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "[Br-]"]} |
Using Cc1cc([N+](=O)[O-])c(C)cc1Cl, CC(C)(C)c1cccc(O)c1 to produce Cc1cc([N+](=O)[O-])c(C)cc1Oc1cccc(C(C)(C)C)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using C=O, CC(C)(C)c1ccccc1O to produce CC(C)(C)c1cccc(C=O)c1O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N", "CCN(CC)CC"], "agent": ["[Cl-]", "Cl", "[Mg+2]"]} |
Using O=C(O)Cc1cccc(I)c1 to produce OCCc1cccc(I)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Cl-]", "[NH4+]", "B"]} |
Using CN1CCN(c2ccc([N+](=O)[O-])c(N)c2F)CC1 to produce Nc1ccc(N2CCN(C3CCCC3)CC2)cc1N, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClC(Cl)Cl"], "agent": ["O=[Mn]=O"]} |
Using O=C(NC1CCN(Cc2ccccc2)CC1)C(F)(F)F to produce O=C(NC1CCNCC1)C(F)(F)F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["[Pd]"]} |
Using O=C1O[C@H]([C@@H](O)CO)C(O)=C1O to produce O=C1O[C@H]([C@@H](O)CO)[C@H](O)[C@@H]1O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["[Pd]"]} |
Using O=Cc1ccc(Cl)cc1, NO to produce ON=Cc1ccc(Cl)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClC(Cl)Cl"], "agent": ["Cl"]} |
Using COC(=O)c1ccc(OC(C)C)c(C#N)c1 to produce CC(C)Oc1ccc(C(=O)O)cc1C#N, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[K+]", "[OH-]"]} |
Using O=CCCl, Nc1cc(Cl)ccn1 to produce Clc1ccn2ccnc2c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CCO"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using CON(C)C(C)=O, Clc1nccs1 to produce CC(=O)c1cnc(Cl)s1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using Cc1ccc(C#N)cc1Cl, O=C1CCC(=O)N1Br to produce N#Cc1ccc(CBr)c(Cl)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "ClC(Cl)(Cl)Cl"], "agent": ["CC(C)(C#N)N=NC(C)(C)C#N"]} |
Using Oc1cc(Cl)nnc1Cl, Cc1cccc(C2CC2)c1O to produce Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O=S1(=O)CCCC1", "CO"], "agent": ["[K+]", "Cl", "[OH-]"]} |
Using Cc1ccc(C#N)cc1Cl, O=C1CCC(=O)N1Br to produce N#Cc1ccc(CBr)c(Cl)c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClC(Cl)(Cl)Cl"], "agent": ["CC(C)(C#N)N=NC(C)(C)C#N"]} |
Using Oc1cc(Cl)nnc1Cl, Cc1cccc(C2CC2)c1O to produce Cc1cccc(C2CC2)c1Oc1nnc(Cl)cc1O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["Clc1ccccc1Cl", "CC(C)(C)O"], "agent": ["[Cs+]", "[OH-]"]} |
Using O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(Cc3ccccc3)CC12 to produce O=C1CCC(c2ccccc2)(c2ccccc2)C2CNCC12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["C", "Cl"]} |
Using O=C1CCC(c2ccccc2)(c2ccccc2)C2CN(Cc3ccccc3)CC12 to produce O=C1CCC(c2ccccc2)(c2ccccc2)C2CNCC12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["Cl"]} |
Using BrBr, Nc1cccnc1F to produce Nc1ccc(Br)nc1F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(=O)O"], "agent": ["[Na+]", "CC(=O)[O-]", "[OH-]"]} |
Using O=CC(Cl)(Cl)Cl, C=C(C)C to produce C=C(C)CC(O)C(Cl)(Cl)Cl, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["[Al+3]", "[Cl-]"]} |
Using O=[N+]([O-])c1cccc2cnccc12, NO to produce Nc1ccc([N+](=O)[O-])c2ccncc12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using CN1CCCCC(C2=C(Cl)C(=O)CCC2)C1=O to produce CN1CCCCC(c2cccc(O)c2)C1=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(=O)O", "O"], "agent": ["Br"]} |
Using O=C1CCCCC1, Nc1c2ccccc2nn1-c1ccccc1 to produce c1ccc(-n2nc3ccccc3c2NC2CCCCC2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(=O)O", "ClCCl"], "agent": ["CC(=O)O[BH-](OC(C)=O)OC(C)=O", "[Na+]"]} |
Using O=C(c1ccccc1)n1ccc2ccc(Br)nc21 to produce Brc1ccc2cc[nH]c2n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["[Na+]", "[OH-]"]} |
Using c1ccc2c(c1)sc1ccccc12, CC(=O)Cl to produce CC(=O)c1ccc2sc3ccccc3c2c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["S=C=S"], "agent": ["[Al+3]", "[Cl-]"]} |
Using Cn1c(=O)[nH]c(=O)c2[nH]cnc21, BrCc1ccccc1 to produce Cn1c(=O)[nH]c(=O)c2c1ncn2Cc1ccccc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using C#CCCC(=O)OC, COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(Br)c21 to produce COC(=O)CCC#Cc1c([N+](=O)[O-])ccc2c1/C(=C/c1[nH]ccc1OC)C(=O)N2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "CCN(CC)CC"], "agent": ["[Cu]I", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using O=C(O)CCc1c[nH]cn1, Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CNC1 to produce Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)nn2C1CN(C(=O)CCc2c[nH]cn2)C1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "CCN(C(C)C)C(C)C"], "agent": ["CCN=C=NCCCN(C)C", "On1nnc2cccnc21", "Cl"]} |
Subsets and Splits