problem
stringlengths 236
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| answer
stringlengths 34
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|---|---|
Using CCC(NS(=O)C(C)(C)C)c1cnn(C)c1C to produce CCC(N)c1cnn(C)c1C, 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 CC(=O)c1cc2c(N3CCN(CCc4ccccc4)CC3)cccc2s1 to produce CC(O)c1cc2c(N3CCN(CCc4ccccc4)CC3)cccc2s1, 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": ["[Na+]", "Cl", "[BH4-]"]} |
Using CNCCC(NC(=O)C1(NC(=O)OC(C)(C)C)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(Cl)cc1 to produce CNCCC(NC(=O)C1(N)CCN(c2ncnc3[nH]ccc23)CC1)c1ccc(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": ["ClCCl", "CO"], "agent": ["Cl"]} |
Using NC(=O)c1ccc(Oc2ccc(C=O)cc2)nc1, c1ccc(CN2CCNCC2)cc1 to produce NC(=O)c1ccc(Oc2ccc(CN3CCN(Cc4ccccc4)CC3)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": ["CO"], "agent": ["[Na+]", "[BH4-]"]} |
Using COc1cc(C2=CCN(C(=O)OC(C)(C)C)CC2)ccc1N to produce COc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccc1N, 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 COC(=O)c1nn(C)c2ccccc12 to produce Cn1nc(C(=O)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": ["[Na+]", "Cl", "[OH-]"]} |
Using CNS(=O)(=O)N1CCN(c2ncnc3c2ccn3C(=O)OC(C)(C)C)CC12CC2, COC(=O)CCl to produce COC(=O)CN(C)S(=O)(=O)N1CCN(c2ncnc3[nH]ccc23)CC12CC2, 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", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using COc1ccc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)cc1C(C)C to produce CC(C)c1cc(Oc2c(Br)cc([N+](=O)[O-])cc2Br)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": ["ClCCl"], "agent": ["BrB(Br)Br"]} |
Using O=C(Nc1cn2cc(Br)ccc2n1)C(F)(F)F to produce Nc1cn2cc(Br)ccc2n1, 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": ["COCCOC"], "agent": ["[K+]", "O=P([O-])([O-])[O-]"]} |
Using COCCOCCO, CCOC(=O)CCCCCOCCOCCOCCOCCOCCOCCS(C)(=O)=O to produce CCOC(=O)CCCCCOCCOCCOCCOCCOCCOCCOCCOC, 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": ["[Na+]", "[H-]"]} |
Using CC(=O)Nc1cc(NC(C)=O)c2ccc(C)nc2c1OC(C)=O, O=[Cr](=O)([O-])O[Cr](=O)(=O)[O-] to produce CC(=O)NC1=CC(=O)c2ccc(C)nc2C1=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": ["[K+]"]} |
Using Clc1nncc2cc(Br)ccc12, C1CNCCN1 to produce Brc1ccc2c(N3CCNCC3)nncc2c1, 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 CCCc1nc2ncccc2[nH]1, BrCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 to produce CCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)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"], "agent": ["[Na+]", "[H-]"]} |
Using O=C1CCNCC1, CC1(C)CCC(c2ccc(Cl)cc2)=C(C=O)C1 to produce CC1(C)CCC(c2ccc(Cl)cc2)=C(CN2CCC(=O)CC2)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": ["ClCCCl", "CCN(C(C)C)C(C)C"], "agent": ["CC(=O)O[BH-](OC(C)=O)OC(C)=O", "[Na+]"]} |
Using CC(C)(C)OC(=O)NCC(=O)O, CC(C)(C)OC(=O)[C@@H]1CC[C@H](c2ccccc2)N1 to produce CC(C)(C)OC(=O)NCC(=O)N1[C@@H](c2ccccc2)CC[C@H]1C(=O)OC(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": ["CC#N", "CO"], "agent": ["C(=NC1CCCCC1)=NC1CCCCC1"]} |
Using CC(C)(C)Cc1ccccc1, COC(Cl)Cl to produce CC(C)(C)Cc1ccc(C=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": ["ClCCl"], "agent": ["Cl[Sn](Cl)(Cl)Cl"]} |
Using O=C(O)c1cc2ncccc2o1 to produce c1cnc2ccoc2c1, 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+]", "CC[O-]"]} |
Using OCCN1CCOCC1, COc1ccc(COC(C(=O)O)C(C)(C)COS(=O)(=O)CCCCl)cc1 to produce COc1ccc(COC(C(=O)OCCN2CCOCC2)C(C)(C)COS(=O)(=O)CCCCl)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": ["ClCCl"], "agent": ["O=C(Cl)C(=O)Cl"]} |
Using Oc1ccc(C(F)(F)F)cc1, CCOC(=O)COc1ccc(Sc2ccc(CO)cc2)cc1C to produce CCOC(=O)COc1ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2)cc1C, 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 CNC(=O)c1ccc(C(=O)OC)cc1N to produce CNC(=O)c1ccc(C(=O)O)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": ["CC(=O)O"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using CC(=O)O, CC(=O)N[C@@]1(C(=O)NC(C)(C)C)CNC[C@@H]1CCCB1OC(C)(C)C(C)(C)O1 to produce N[C@@]1(C(=O)O)CNC[C@@H]1CCCB(O)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"], "agent": ["Cl"]} |
Using O=S(=O)(Cl)c1ccc(Br)s1, Fc1ccc(N2CCNCC2)cc1 to produce O=S(=O)(c1ccc(Br)s1)N1CCN(c2ccc(F)cc2)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": ["ClCCl", "CCN(CC)CC"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using O=c1c(-c2ccccc2)coc2cc(O)ccc12, CCCCCCBr to produce CCCCCCOc1ccc2c(=O)c(-c3ccccc3)coc2c1, 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(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]", "[I-]"]} |
Using CCN=C=NCCCN(C)C, Cc1ccc(F)cc1C1CC(=O)N(CC(=O)O)C(c2cccc(Cl)c2)C12C(=O)Nc1cc(Cl)ccc12 to produce CNC(=O)CN1C(=O)CC(c2cc(F)ccc2C)C2(C(=O)Nc3cc(Cl)ccc32)C1c1cccc(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": ["CN(C)C=O", "CCN(C(C)C)C(C)C"], "agent": ["CN", "On1nnc2ccccc21", "Cl"]} |
Using CCOC(=O)CC(=O)CON=C(c1ccc(OC)cc1)c1ccc(OC)cc1, CON to produce CCOC(=O)CC(CON=C(c1ccc(OC)cc1)c1ccc(OC)cc1)=NOC, 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", "c1ccncc1"], "agent": ["Cl"]} |
Using O=S(=O)(Cl)c1ccc(Cl)cc1Cl, O=Cc1c[nH]c2ccccc12 to produce O=Cc1cn(S(=O)(=O)c2ccc(Cl)cc2Cl)c2ccccc12, 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": ["[Na+]", "O=C([O-])O"]} |
Using Cc1c(Cl)nnc(NCCNCc2ccccc2)c1C, OB(O)c1ccc(F)cc1 to produce Cc1c(NCCNCc2ccccc2)nnc(-c2ccc(F)cc2)c1C, 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"], "agent": ["[F-]", "N#N", "[Cs+]"]} |
Using CCC(O)(/C=C/c1ccc(C(CC)(CC)c2ccc(B3OC(C)(C)C(C)(C)O3)c(C)c2)cc1C)CC to produce CCC(O)(CC)CCc1ccc(C(CC)(CC)c2ccc(B3OC(C)(C)C(C)(C)O3)c(C)c2)cc1C, 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", "CO"], "agent": ["[H][H]", "[C]", "[Pd]"]} |
Using CC(C)OB(OC(C)C)OC(C)C, CC(C)(C)OC(=O)n1ccc2c(F)cccc21 to produce CC(C)(C)OC(=O)n1c(B(O)O)cc2c(F)cccc21, 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(C)NC(C)C", "C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using CCOC(=O)c1cnc2c(c1O)C(=NO)CCC2 to produce O=C(O)c1cnc2c(c1O)C(=NO)CCC2, 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+]", "Cl", "[OH-]"]} |
Using CCOC(=O)CBr, Cc1nc2cnc3ccc(O)cc3c2n1C to produce CCOC(=O)COc1ccc2ncc3nc(C)n(C)c3c2c1, 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", "CCO"], "agent": ["[Na+]", "[H-]"]} |
Using CC(C)C[C@H](N)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1, O=C(O)CNC(=O)c1cccc(F)c1F to produce CC(C)C[C@H](NC(=O)CNC(=O)c1cccc(F)c1F)B1O[C@H]2C[C@H]3C[C@H](C3(C)C)[C@@]2(C)O1, 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": ["CN(C)C(On1nnc2ccccc21)=[N+](C)C", "O=C([O-])C(F)(F)F", "F[B-](F)(F)F"]} |
Using CCOC(=O)C(C(=O)OCC)c1cccn(-c2ccc([N+](=O)[O-])cc2OC)c1=O to produce COc1cc([N+](=O)[O-])ccc1-n1cccc(CC(=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"], "agent": ["[Na+]", "[OH-]"]} |
Using N#CCCC1(C#N)CC2C=CC1CC2 to produce N#CCCC1(C#N)CC2CCC1CC2, 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 Cc1nc(C)c(Cl)c(NCc2ccc(OCc3ccccc3)c(OCC3CC3)c2)n1 to produce Cc1nc(C)c(Cl)c(NCc2ccc(O)c(OCC3CC3)c2)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": ["CC(=O)O", "CO"], "agent": ["[H][H]"]} |
Using Cc1ccnc(CO)c1C to produce Cc1ccnc(C=O)c1C, 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 CN1CCCC1CCN, O=Cc1cccc2ccccc12 to produce CN1CCCC1CCNCc1cccc2ccccc12, 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": ["[Na]"]} |
Using COc1cc2c(c(Cl)c1Cl)C(=O)C(CCCCl)(CCC(C)=O)C2 to produce COc1cc2c(c(Cl)c1Cl)C1=CC(=O)CCC1(CCCCl)C2, 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+]", "Cl", "[OH-]"]} |
Using Clc1nc(Cl)nc(-c2ccccc2)n1, c1ccc(-c2ccc3[nH]c4ccc(-c5ccccc5)cc4c3c2)cc1 to produce Clc1nc(-c2ccccc2)nc(-n2c3ccc(-c4ccccc4)cc3c3cc(-c4ccccc4)ccc32)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": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using NS(=O)(=O)c1ccccc1F, Clc1nc2ccccc2nc1Cl to produce O=S(=O)(Nc1nc2ccccc2nc1Cl)c1ccccc1F, 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": ["O=C([O-])[O-]", "[K+]"]} |
Using CCOC(=O)/C=C/[C@H]1CC[C@H](CCN(C)C(=O)OC(C)(C)C)CC1 to produce CCOC(=O)CC[C@H]1CC[C@H](CCN(C)C(=O)OC(C)(C)C)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": ["[Pd]"]} |
Using CC(Br)C(=O)C1CC1, Cc1ccc(S(=O)(=O)Nc2cnc(Br)cn2)cc1 to produce Cc1ccc(S(=O)(=O)N=c2cnc(Br)cn2C(C)C(=O)C2CC2)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": ["[Na+]", "[H-]"]} |
Using CCOC(=O)CC(CCCCCCCNc1ncccn1)c1cnc(C)nc1 to produce Cc1ncc(C(CCCCCCCNc2ncccn2)CC(=O)O)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": ["C1COCCO1"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using ClCc1cnoc1-c1ccc(Cl)s1, CCOC(=O)CC(=O)OCC to produce O=C(O)CCc1cnoc1-c1ccc(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": ["[Na+]", "Cl", "[H-]"]} |
Using CC(C)n1nccc1-c1nccnc1CCl, COc1cc(C=O)c(O)cn1 to produce COc1cc(C=O)c(OCc2nccnc2-c2ccnn2C(C)C)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": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]", "Cl"]} |
Using O=C(CCc1ccccc1)/N=C(\NCCC[C@H]1C(=O)N(C(=O)Nc2ccccc2)[C@@H]1C(=O)OCc1ccccc1)NC(=O)CCc1ccccc1 to produce N=C(N)NCCC[C@H]1C(=O)N(C(=O)Nc2ccccc2)[C@@H]1C(=O)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": ["C1CCOC1"], "agent": ["Cl", "[Pd]"]} |
Using O=C1CCC(O)(c2ccc(-c3ncccn3)cn2)CC1, CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](N)C1 to produce CC(C)[C@]1(C(=O)N2CCN(c3cc(C(F)(F)F)ccn3)CC2)CC[C@@H](NC2CCC(O)(c3ccc(-c4ncccn4)cn3)CC2)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": ["ClCCl"], "agent": ["[Na+]", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]} |
Using CI, O=c1[nH]cc(Br)c2ccoc12 to produce Cn1cc(Br)c2ccoc2c1=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": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using COC(=O)[C@@H]1CCCN1C(=O)c1cccc([N+](=O)[O-])c1Cl to produce COC(=O)[C@@H]1CCCN1C(=O)c1cccc(N)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": ["CO"], "agent": ["Cl[Sn](Cl)(Cl)Cl"]} |
Using COC(=O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(O)noc2c1 to produce O=C(O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(O)noc2c1, 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": ["[Na+]", "Cl", "[OH-]"]} |
Using CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O, COCC(=O)Cl to produce COCC(=O)N[C@H]1[C@H](OC(C)=O)O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=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": ["ClCCl", "CCN(CC)CC"], "agent": ["Cl"]} |
Using CN1CCc2nc(C(=O)[O-])sc2C1 to produce CN1CCc2nc(C(=O)O)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": ["CCO"], "agent": ["[Li+]", "Cl"]} |
Using C1COCCN1, CN(Cc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1)S(=O)(=O)CCCCl to produce CN(Cc1cc2nc(-c3cccc4[nH]ncc34)nc(N3CCOCC3)c2s1)S(=O)(=O)CCCN1CCOCC1, 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+]", "[I-]"]} |
Using COC(=O)c1ccc2cc(C(C)(O)C(F)(F)F)ccc2c1 to produce CC(O)(c1ccc2cc(C(=O)O)ccc2c1)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": ["[Na+]", "Cl", "[OH-]"]} |
Using c1ccc(Pc2ccccc2)cc1, COC(=O)c1c(OS(=O)(=O)C(F)(F)F)ccc2ccccc12 to produce COC(=O)c1c(P(c2ccccc2)c2ccccc2)ccc2ccccc12, 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": ["CC(=O)[O-]", "[Pd+2]"]} |
Using COC(=O)c1ccc(NC(=O)c2cc(COCc3cc(C)on3)cc(OCc3ccccc3F)c2)nc1 to produce Cc1cc(COCc2cc(OCc3ccccc3F)cc(C(=O)Nc3ccc(C(=O)O)cn3)c2)no1, 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+]", "[OH-]"]} |
Using COCCOc1ccn2c(-c3ccc4cccc(O[C@H]5CN(C(=O)OCc6ccccc6)C[C@H]5F)c4n3)cnc2c1 to produce COCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CNC[C@@H]5F)c4n3)cnc2c1, 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", "[Pd]"]} |
Using Cc1ccc2nc(Cl)c(C#N)c(Cl)c2c1, CC(=O)[O-] to produce Cc1ccc2[nH]c(=O)c(C#N)c(Cl)c2c1, 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": ["[NH4+]"]} |
Using CS(=O)(=O)OCCc1ccc(OS(C)(=O)=O)cc1, CCOC(=O)C(Cc1ccc(O)c(NC(=O)OC(C)(C)C)c1)OCC to produce CCOC(=O)C(Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)c(NC(=O)OC(C)(C)C)c1)OCC, 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": ["CCC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using Cc1cccc(C(=O)O)c1, Cc1nc2cccc(CN)c2c(=O)n1C1CCC(=O)NC1=O to produce Cc1cccc(C(=O)NCc2cccc3nc(C)n(C4CCC(=O)NC4=O)c(=O)c23)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(n1ccnc1)n1ccnc1", "Cl"]} |
Using COc1ccc(C=O)c(O)c1, CCCCCCCCCCCCCCCCCCCCCCBr to produce CCCCCCCCCCCCCCCCCCCCCCOc1cc(OC)ccc1CO, 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", "ClC(Cl)Cl"], "agent": ["O=C([O-])[O-]", "[K+]", "Cl"]} |
Using CCOC(=O)c1c[nH]c2ncnc(-c3cccc([N+](=O)[O-])c3)c12 to produce CCOC(=O)c1c[nH]c2ncnc(-c3cccc(N)c3)c12, 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", "CO"], "agent": ["[Pt]"]} |
Using COc1nc(C)ccc1-c1cc(Nc2cncc(O[C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2)n(C(=O)OC(C)(C)C)n1 to produce COc1nc(C)ccc1-c1cc(Nc2cncc(O[C@@H]3CCCNC3)n2)[nH]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": ["O=C(O)C(F)(F)F", "ClCCl"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using O=[N+]([O-])c1ncccc1O, CC(O)c1c(Cl)ccc(F)c1Cl to produce CC(Oc1cccnc1[N+](=O)[O-])c1c(Cl)ccc(F)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": ["C1CCOC1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CC(C)OC(=O)N=NC(=O)OC(C)C"]} |
Using CCCCC(C)(C)C(O)C=CC1CCC(O)C1C/C=C\CCCC(=O)[O-] to produce CCCCC(C)(C)C(O)C=CC1CCC(O)C1C/C=C\CCCC(=O)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": ["CO"], "agent": ["[Na+]", "[OH-]"]} |
Using CCOP(=O)(CC(=O)C1C=C2C=CC=CC2S1)OCC, O=C[C@@H]1[C@H]2CC(=O)O[C@H]2C[C@H]1OC(=O)c1ccc(-c2ccccc2)cc1 to produce O=C1C[C@@H]2[C@@H](/C=C/C(=O)c3cc4ccccc4s3)[C@H](OC(=O)c3ccc(-c4ccccc4)cc3)C[C@@H]2O1, 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", "C1CCOC1"], "agent": ["[Cl-]", "[Li+]"]} |
Using FC(F)(F)c1cccc(CBr)c1, COC(=O)Cc1cccc(OCCCNCC(c2ccccc2)c2ccccc2)c1 to produce COC(=O)Cc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2)CC(c2ccccc2)c2ccccc2)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", "O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using BrCCCBr, Oc1ccccc1F to produce Fc1ccccc1OCCCBr, 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-]", "[Cs+]"]} |
Using ClCc1ccc(Cl)cc1, NNc1ccc(OCc2ccc3ccccc3n2)cc1 to produce NN(Cc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)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": ["CCN(C(C)C)C(C)C"], "agent": ["[Br-]", "CCCC[N+](CCCC)(CCCC)CCCC"]} |
Using CN(C)C=O, COC(=O)c1ccc(N2CCN(CC3=C(c4ccc(Cl)cc4)CC(C)(C)CC3)CC2)cc1Oc1cccc2c1ncn2C(c1ccc(OC)cc1)c1ccc(OC)cc1 to produce CC1(C)CCC(CN2CCN(c3ccc4c(c3)Oc3cccc5ncn(c35)C4=O)CC2)=C(c2ccc(Cl)cc2)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": ["ClCCl"], "agent": ["O=C(Cl)C(=O)Cl"]} |
Using COC(=O)c1ncc(Br)cc1CBr, CCN to produce CCN1Cc2cc(Br)cnc2C1=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": ["CCO", "C1CCOC1"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using CC(=O)N1CCC(C(=O)c2ccc(Cl)cc2Cl)CC1, NNc1ccccc1 to produce CC(=O)N1CCC(C(=NNc2ccccc2)c2ccc(Cl)cc2Cl)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(C)O"], "agent": ["[Na+]", "CC(=O)[O-]", "Cl"]} |
Using CCCC(CC(=O)O)n1c(=O)n(Cc2csc3cccc(C)c23)c2ccccc21, NCc1ccccc1 to produce CCCC(CC(=O)NCc1ccccc1)n1c(=O)n(Cc2csc3cccc(C)c23)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", "C1CCOC1"], "agent": ["CCN=C=NCCCN(C)C", "On1nnc2ccccc21"]} |
Using O=C(NC[C@@H]1C[C@H]2C[C@H]2N1)Oc1cccc(Cl)c1F, NC(=O)n1cc(N=C=O)c2ccccc21 to produce NC(=O)n1cc(NC(=O)N2[C@H](CNC(=O)Oc3cccc(Cl)c3F)C[C@H]3C[C@H]32)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": ["C1CCOC1", "CCN(CC)CC"], "agent": ["O=C([O-])C(F)(F)F"]} |
Using COC(=O)c1sccc1NS(=O)(=O)c1cccc(-c2ccccc2C)c1 to produce Cc1ccccc1-c1cccc(S(=O)(=O)Nc2ccsc2C(=O)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": ["C1CCOC1", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using O=C1NC(c2ccccc2)c2cc(Cl)ccc2N1CC1CC1, CCI to produce CCN1C(=O)N(CC2CC2)c2ccc(Cl)cc2C1c1ccccc1, 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": ["[Na+]", "[H-]"]} |
Using O=S(=O)(O)O, Cc1cc(Cl)nc(Cl)c1C#N to produce Cc1cc(Cl)nc(Cl)c1C(N)=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"], "agent": ["[Na+]", "[OH-]"]} |
Using CC(=O)c1ccncc1, Fc1ccc(-c2cncs2)cc1 to produce CC(O)(c1ccncc1)c1ncc(-c2ccc(F)cc2)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 CS(N)(=O)=O, O=C(O)c1cc(C2CC2)c(OCC2CN(C(c3ccccc3)c3ccc(Cl)cc3)C2)cc1F to produce CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CN(C(c3ccccc3)c3ccc(Cl)cc3)C2)cc1F, 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", "ClCCl"], "agent": ["CCN=C=NCCCN(C)C", "CN(C)c1ccncc1"]} |
Using Cn1c(=O)n(CCCOC2CCCCO2)c(=O)c2c(C(O)c3ccc(C(F)(F)F)nc3)c(Br)cnc21 to produce Cn1c(=O)n(CCCOC=O)c(=O)c2c(Cc3ccc(C(F)(F)F)nc3)c(Br)cnc21, 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": ["[Zn]"]} |
Using CCOC(=O)/C=C/c1cc(SCc2ccccc2)ccc1Nc1cc(Br)c(Cl)cc1OC to produce COc1cc(Cl)c(Br)cc1-n1c(=O)ccc2cc(SCc3ccccc3)ccc21, 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[O-]", "[Na+]"]} |
Using C[C@H](NC(=O)OCc1ccccc1)C(=O)O[C@H]1c2cc(C#N)ccc2OC(C)(C)[C@@H]1Br to produce CC1(C)Oc2ccc(C#N)cc2[C@@H]2O[C@@H]21, 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", "O"], "agent": ["[Na+]", "[OH-]"]} |
Using CS(=O)(=O)Cl, Nc1cccc(NC(=O)C(=O)N2CCC(Cc3ccccc3)CC2)c1 to produce CS(=O)(=O)Nc1cccc(NC(=O)C(=O)N2CCC(Cc3ccccc3)CC2)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": ["ClCCl", "c1ccncc1"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using COc1ccc(C(=O)C2=C(c3ccccc3)c3ccc(OC)cc3CC2)cc1 to produce O=C(C1=C(c2ccccc2)c2ccc(O)cc2CC1)c1ccc(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": ["CCS", "CN(C)C=O"], "agent": ["[Na+]", "Cl", "[H-]"]} |
Using COc1ccc2nccc(OS(=O)(=O)C(F)(F)F)c2n1, COCCOC to produce C=Cc1ccnc2ccc(OC)nc12, 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": ["O=C([O-])[O-]", "[K+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using CC(=O)/C=C/c1cccc([N+](=O)[O-])c1 to produce CC(=O)CCc1cccc(N)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": ["CCOC(C)=O"], "agent": ["[Pd]"]} |
Using CS(=O)(=O)Cl, CC(C)(C)OC1OC(=O)CC(C)(C)C1O to produce CC(C)(C)OC1OC(=O)CC(C)(C)C1OS(C)(=O)=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": ["c1ccncc1"], "agent": ["Cl"]} |
Using OB(O)c1ccsc1, COc1ccccc1C1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(Br)cc1 to produce COc1ccccc1C1c2c(C(C)(C)CO)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)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", "COCCOC"], "agent": ["[K+]", "O=P([O-])([O-])[O-]"]} |
Using [BH3-]C#N, CC(=O)c1cc2ccn(C(=O)OC(C)(C)C)c2cn1 to produce CC(N)c1cc2ccn(C(=O)OC(C)(C)C)c2cn1, 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+]"]} |
Using CC(C)(C)OC(=O)N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(N3CCCCC3=O)c2)cc1 to produce N[C@@H]1C[C@H]1c1ccc(NC(=O)c2cccc(N3CCCCC3=O)c2)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"], "agent": ["Cl"]} |
Using C#Cc1ccc(-c2ccc(OC)c(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)c2C)nc1C(=O)O to produce CCc1ccc(-c2ccc(OC)c(C3C4=C(CC(C)(C)CC4=O)OC4=C3C(=O)CC(C)(C)C4)c2C)nc1C(=O)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": ["ClCCl", "CO"], "agent": ["[H][H]", "[C]", "[Pd]"]} |
Using N#CCc1c[nH]c2cccc([N+](=O)[O-])c12, CC(C)(C)OC(=O)CBr to produce CC(C)(C)OC(=O)Cn1cc(CC#N)c2c([N+](=O)[O-])cccc21, 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": ["[Na+]", "[H-]"]} |
Using Cc1ccc(S(=O)(=O)OC[C@H]2CO2)cc1, O=[N+]([O-])c1c[nH]c(Cl)n1 to produce Cc1ccc(S(=O)(=O)OC[C@H](O)Cn2cc([N+](=O)[O-])nc2Cl)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#N"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using ClCc1ccc(Cl)cc1, O=[N+]([O-])c1ccc(O)cc1F to produce O=[N+]([O-])c1ccc(OCc2ccc(Cl)cc2)cc1F, 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": ["CCC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using NC(=O)C(c1ccccc1Cl)N1CCc2sccc2C1, CO to produce COC(=O)C(c1ccccc1Cl)N1CCc2sccc2C1, 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": ["Cl[Ti](Cl)(Cl)Cl"]} |
Using COC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)OCc1ccccc1 to produce COC(=O)[C@H](CC(C)C)NC(=O)[C@H](N)CC(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": ["CO"], "agent": ["[H][H]", "Cl", "[Pd]"]} |
Using CC(=O)O, COc1ccc(-c2nc(Sc3ccccc3[N+](=O)[O-])[nH]c2-c2ccc(OC)cc2)cc1 to produce COc1ccc(-c2nc(Sc3ccccc3NC(C)=O)[nH]c2-c2ccc(OC)cc2)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)OC(C)=O", "O"], "agent": ["[Fe]"]} |
Using CI, Cc1noc(C)c1-c1ccc2c(=O)[nH]n3c2c1OCC3c1ccccc1 to produce COc1nn2c3c(c(-c4c(C)noc4C)ccc13)OCC2c1ccccc1, 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": ["[Na+]", "[H-]"]} |
Using O=C(Nc1ccc(C2=CCSCC2)c(F)c1)OCc1ccccc1, CCCC(=O)OC[C@H]1CO1 to produce O=C1O[C@@H](CO)CN1c1ccc(C2=CCSCC2)c(F)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", "CO"], "agent": ["[Li]CCCC", "[Na+]", "O=C([O-])O"]} |
Using CC(C)Cc1[nH]nc(C(N)=O)c1[N+](=O)[O-] to produce CC(C)Cc1[nH]nc(C(N)=O)c1N, 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": ["[Pd]"]} |
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