problem
stringlengths 236
970
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stringlengths 34
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Using C[Si](C)(C)C#Cc1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N to produce C#Cc1c(C#N)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)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": ["CO"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using CN(C)C=O, Cc1c(C(=O)[O-])c(C)n(-n2nnc3cccnc32)c1/C=C1\C(=O)Nc2ccc(F)cc21 to produce Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC1CCNCC1, 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 C=CCn1c(Br)nc2ccccc21, CC(=O)N1c2ccc(Br)c(O)c2CC[C@@H]1C to produce C=CCn1c(Oc2c(Br)ccc3c2CC[C@H](C)N3)nc2ccccc21, 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)N(C)C"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using O=C(CC1CCCCC1=O)c1ccc(Cl)cc1, CC(C)NC(C)CN to produce CC(C)NC(C)Cn1c(-c2ccc(Cl)cc2)cc2c1CCCC2, 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": ["Cl"]}
|
Using CC(=O)OC[C@H]1O[C@@H](c2ccc(C)c(Cc3cccs3)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O, BrBr to produce CC(=O)OC[C@H]1O[C@@H](c2ccc(C)c(Cc3ccc(Br)s3)c2)[C@H](OC(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": ["ClC(Cl)Cl"], "agent": ["[Na+]", "O=C([O-])O", "O=S([O-])([O-])=S"]}
|
Using O=C1O[C@@H](Cn2ncnn2)CN1c1ccc(C2=CCNCC2)c(F)c1, CC1(C)OC[C@@H](C(=O)Cl)O1 to produce CC1(C)OC[C@@H](C(=O)N2CC=C(c3ccc(N4C[C@H](Cn5ncnn5)OC4=O)cc3F)CC2)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": ["ClCCl", "c1ccncc1"], "agent": ["Cl"]}
|
Using CC(C)(C)OC(=O)c1cc2[nH]ccc2cn1, BrCC1CC1 to produce CC(C)(C)OC(=O)c1cc2c(ccn2CC2CC2)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": ["[Na+]", "[H-]"]}
|
Using C#C[Si](C)(C)C, COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(Br)c21 to produce COc1cc[nH]c1/C=C1\C(=O)Nc2cccc(C#C[Si](C)(C)C)c21, 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": ["Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]}
|
Using CS(=O)(=O)c1cc(Cl)c(N)c(Cl)c1, [N-]=[N+]=Nc1ccncc1C=O to produce CS(=O)(=O)c1cc(Cl)c(/N=C/c2cnccc2N=[N+]=[N-])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": ["ClCCl", "CCN(CC)CC"], "agent": ["Cl[Ti](Cl)(Cl)Cl"]}
|
Using CC#Cc1cc(C)nc(Nc2ccccc2)n1, C1CCOC1 to produce CC#Cc1cc(C)nc(N(COCC)c2ccccc2)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": ["[Na+]", "[H-]"]}
|
Using BrC[P+](c1ccccc1)(c1ccccc1)c1ccccc1, O=Cc1c(O)c(Br)cc(F)c1Cl to produce Fc1cc(Br)c2occc2c1Cl, 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": ["CCCCCC", "C1CCOC1"], "agent": ["[Br-]", "CC(C)(C)[O-]", "[K+]"]}
|
Using Clc1nc(N2CCOCC2)c2oc3ccccc3c2n1, CC1(C)OB(c2cccc(O)c2)OC1(C)C to produce Oc1cccc(-c2nc(N3CCOCC3)c3oc4ccccc4c3n2)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", "COCCOC"], "agent": ["O=C([O-])[O-]", "[Na+]"]}
|
Using COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc([N+](=O)[O-])c4)n3)c(C)c2)cc1 to produce COc1ccc(Oc2cc(C)c(-c3csc(NC(=O)c4ccnc(N)c4)n3)c(C)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": ["CCO"], "agent": ["[Pd]"]}
|
Using Cc1ccc(Cl)cc1N1C(=O)c2cc(Br)n(C(C)C)c2C1c1ccc(Cl)cc1, COc1ccc(C#N)cc1B(O)O to produce COc1ccc(C#N)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=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": ["C1COCCO1", "O"], "agent": ["[K+]", "O=P([O-])([O-])[O-]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]}
|
Using CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1ccc(C(C)=O)cc1 to produce CC(=O)c1ccc(O[C@@H]2SC[C@@H](O)[C@H](O)[C@H]2O)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": ["C[O-]", "[Na+]"]}
|
Using COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)C[C@H](O)COc1ccccc1-3, C[NH+](CCCl)Cc1ccccc1 to produce C[NH+](CCO[C@@H]1COc2ccccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1)Cc1ccccc1, 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-]", "[Na+]", "[OH-]"]}
|
Using CC(C)COP(C)(=O)C[C@H](O)CN=[N+]=[N-] to produce CC(C)COP(C)(=O)C[C@H](O)CN, 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": ["[H][H]", "[Pd]"]}
|
Using Brc1ccc2c(c1)OCCn1cc(-c3ncc[nH]3)nc1-2, CC(C)I to produce CC(C)n1ccnc1-c1cn2c(n1)-c1ccc(Br)cc1OCC2, 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-]", "[Cs+]"]}
|
Using COC(=O)c1ccccc1-c1ccncn1 to produce O=C(O)c1ccccc1-c1ccncn1, 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": ["Cl"]}
|
Using COC(=O)c1ccc(C=O)cc1, OCCO to produce COC(=O)c1ccc(C2OCCO2)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": ["Cc1ccccc1C", "O"], "agent": ["[Cl-]", "[Zn+2]"]}
|
Using CC1=C(C(=O)OCCOc2ccccc2)C(c2c(F)ccc(C)c2Cl)C2=C(CN(Cc3ccccc3)CC2=O)N1 to produce CC1=C(C(=O)OCCOc2ccccc2)C(c2c(F)ccc(C)c2Cl)C2=C(CNCC2=O)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", "CO"], "agent": ["[H][H]", "Cl", "[Pd]"]}
|
Using CCCC(C(=O)OC)c1c(C)nc2sc3c(c2c1-c1ccc2c(c1)OCO2)CCCC3 to produce CCCC(C(=O)O)c1c(C)nc2sc3c(c2c1-c1ccc2c(c1)OCO2)CCCC3, 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 CC(C)(C)OC(=O)N1CCN(c2cccc3cc[nH]c23)CC1 to produce CC(C)(C)OC(=O)N1CCN(c2cccc3c2NCC3)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": ["[BH3-]C#N", "[Na+]", "[OH-]"]}
|
Using COc1ccc(C(=O)C[n+]2ccc(C3=NNC(=O)CN3)cc2)cc1 to produce COc1ccc(C(O)CN2CC=C(C3=NNC(=O)CN3)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", "CO"], "agent": ["[Br-]", "[Na+]", "[BH4-]"]}
|
Using CC(=O)N[C@@H](Cc1cc(F)cc(OCc2ccccc2)c1)[C@H](O)[C@H]1CO[C@@H](OCC(C)(C)C)[C@H](C)N1C(=O)OC(C)(C)C to produce CC(=O)N[C@@H](Cc1cc(O)cc(F)c1)[C@H](O)[C@H]1CO[C@@H](OCC(C)(C)C)[C@H](C)N1C(=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": ["CCO"], "agent": ["[Pd]"]}
|
Using CCOC(=O)C(=NO)C(C)=O, ClCc1ccc(Cl)cc1Cl to produce CCOC(=O)C(=NOCc1ccc(Cl)cc1Cl)C(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": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using CC(C)(C)OC(=O)C=C1CC(C(=O)O)C1 to produce CC(C)(C)OC(=O)CC1CC(C(=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": ["CO"], "agent": ["[C]", "[Pd]"]}
|
Using N[C@H]1CCCc2ccccc21, CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)O)ccn2)c1 to produce CN(CCN1CCOCC1)C(=O)c1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccn2)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"]}
|
Using COC(=O)CCCCCNC(=O)C=C1c2ccccc2-c2ccccc21 to produce O=C(O)CCCCCNC(=O)C=C1c2ccccc2-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": ["[Li+]", "Cl", "[OH-]"]}
|
Using COC(=O)c1cc(C)c2c(c1)S(=O)(=O)Cc1cc(N(CCO)CCO)cc(Cl)c1O2 to produce COC(=O)c1cc(C)c2c(c1)S(=O)(=O)Cc1cc(N3CCOCC3)cc(Cl)c1O2, 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": ["Cc1ccccc1C", "O"], "agent": ["O=C([O-])O", "Cc1ccc(S(=O)(=O)O)cc1"]}
|
Using Br, N#Cc1cc(F)ccc1-c1cc(N)ccc1F to produce N#Cc1cc(F)ccc1-c1cc(Br)ccc1F, 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": ["O=N[O-]", "[Na+]", "[Cu]Br"]}
|
Using CC(C)(C)OC(=O)NCC(C)(C)c1cc2cc([N+](=O)[O-])ccc2[nH]1 to produce CC(C)(C)OC(=O)NCC(C)(C)c1cc2cc(N)ccc2[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", "C1CCOC1"], "agent": ["O=C[O-]", "[NH4+]", "[Pd]"]}
|
Using CC(C)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1 to produce CC(C)Oc1ccc(N)c(C(=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"], "agent": ["[Pd]"]}
|
Using CCCN(CCCN(CCCN(CCC1CCCCN1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C to produce CCCNCCCNCCCNCCC1CCCCN1, 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 O, O=C1OCc2cc(Br)ccc21 to produce O=C(O)c1cc(Br)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": ["C1CCOC1", "CO"], "agent": ["[Li+]", "[OH-]"]}
|
Using CCCCCCCCCBr, Nc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 to produce CCCCCCCCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(N)nc21, 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 N#CCOc1cccc(CO)c1, O=C(Nc1cccc2c1C(=O)NC2=O)c1ccc(Cl)s1 to produce N#CCOc1cccc(CN2C(=O)c3cccc(NC(=O)c4ccc(Cl)s4)c3C2=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"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CCOC(=O)N=NC(=O)OCC"]}
|
Using Nc1ccccc1S, CCCn1c(=O)[nH]cc(O)c1=O to produce CCCn1c(=O)[nH]c2c(c1=O)Nc1ccccc1S2, 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": ["O=C1CCC(=O)N1Br"]}
|
Using O=C(CN1C(=O)c2ccccc2S1(=O)=O)OCCO to produce O=C(OCCO)C1=C(O)c2ccccc2S(=O)(=O)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+]", "Cl"]}
|
Using CC1Cc2ccccc2N1c1ccnc2cc(Cl)ccc12 to produce Cc1cc2ccccc2n1-c1ccnc2ccccc12, 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": ["c1ccc(Oc2ccccc2)cc1"], "agent": ["[Pd]"]}
|
Using O=c1[nH]c2ccccc2n1CCN1CCC(=C(c2ccccc2)c2ccccc2)CC1 to produce O=c1[nH]c2ccccc2n1CCN1CCC(C(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": ["CO"], "agent": ["[H][H]", "[Pd]"]}
|
Using CNC(CCC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 to produce CNCCCC(=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": ["CO"], "agent": ["[C]", "[Pd]"]}
|
Using CCOC(=O)C1CCCCCC1, COc1cccc(CBr)c1OC to produce CCOC(=O)C1(Cc2cccc(OC)c2OC)CCCCCC1, 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": ["CC(C)[N-]C(C)C", "[Li+]"]}
|
Using O=C(CBr)C12CC3CC(CC(C3)C1)C2, Sc1ccc(Cl)c(Cl)c1 to produce O=C(CSc1ccc(Cl)c(Cl)c1)C12CC3CC(CC(C3)C1)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": ["CC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using O=C(Cl)c1cccnc1, CC1CC=NN1 to produce CC1CC=NN1C(=O)c1cccnc1, 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(CC)CC", "ClC(Cl)Cl"], "agent": ["Cl"]}
|
Using c1c[nH]nn1, ICCCCc1ccc(OCc2ccccc2)cc1 to produce c1ccc(COc2ccc(CCCCn3ccnn3)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": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using O=Cc1ccccc1, COc1ccc(C2=NNC(=O)CC2)cc1 to produce COc1ccc(-c2cc(Cc3ccccc3)c(=O)[nH]n2)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": ["[K+]", "[OH-]"]}
|
Using CN(C)/C=C/c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-] to produce O=c1[nH]c(=O)c2[nH]ccc2[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": ["CC(=O)O"], "agent": ["[Zn]"]}
|
Using CCn1c(=O)n(-c2ccc(O)cc2)c2ncccc21, C[Si](C)(C)CCOCn1c(Cl)nc2ccccc21 to produce CCn1c(=O)n(-c2ccc(Oc3nc4ccccc4n3COCC[Si](C)(C)C)cc2)c2ncccc21, 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)c1cc(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)c1N, [N-]=[N+]=[N-] to produce COC(=O)c1cc(-c2ccc(OC)cc2)nc(-c2ccc(OC)cc2)c1N=[N+]=[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": ["CCO"], "agent": ["O=N[O-]", "[Na+]", "Cl"]}
|
Using CCCc1nc2c(C)cc(C3=NC(C)CN3)cc2n1Cc1ccc(-c2ccccc2C(=O)OC)cc1 to produce CCCc1nc2c(C)cc(-c3nc(C)c[nH]3)cc2n1Cc1ccc(-c2ccccc2C(=O)OC)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": ["Cc1ccccc1"], "agent": ["[Pd]"]}
|
Using C=CCCl, C=CCc1ccc(O)c(OC)c1 to produce C=CCc1cc(CC=C)c(O)c(OC)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": ["CCCO"], "agent": ["[Na+]", "[OH-]"]}
|
Using Clc1ccc(I)cn1, CON(C)C(=O)c1cn(Cc2cccc(Br)n2)c2ccccc2c1=O to produce O=C(c1ccc(Cl)nc1)c1cn(Cc2cccc(Br)n2)c2ccccc2c1=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": ["CC(C)[Mg]Cl"]}
|
Using O=C(O)C(Br)Br, O=C1c2ccccc2C(=O)N1O to produce O=C(ON1C(=O)c2ccccc2C1=O)C(Br)Br, 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": ["C(=NC1CCCCC1)=NC1CCCCC1"]}
|
Using Fc1ccc2c(c1)C(Cl)c1ccccc1CO2, C1CNCCN1 to produce Fc1ccc2c(c1)C(N1CCNCC1)c1ccccc1CO2, 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": ["[Na+]", "[OH-]"]}
|
Using CC(C)(C)OC(=O)N1Cc2ccc(C#N)cc2C1, NO to produce CC(C)(C)OC(=O)N1Cc2ccc(C(=N)NO)cc2C1, 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", "CCN(C(C)C)C(C)C"], "agent": ["Cl"]}
|
Using Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)c1, O=C(O)Cc1ccc(F)cc1 to produce O=C(Cc1ccc(F)cc1)Nc1cccc(-c2nn(C3CCCCO3)c3ccc(-c4ncn(C(c5ccccc5)(c5ccccc5)c5ccccc5)n4)cc23)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": ["CCN=C=NCCCN(C)C", "Cl"]}
|
Using COC(=O)c1cccc2sc(N3CCNCC3)nc12, CC(C)Oc1ccc(S(C)(=O)=O)cc1C(=O)O to produce COC(=O)c1cccc2sc(N3CCN(C(=O)c4cc(S(C)(=O)=O)ccc4OC(C)C)CC3)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": ["C1CCOC1"], "agent": ["Cl"]}
|
Using CCOC(=O)C(Cc1ccc(OCc2ccccc2)cc1)OCC to produce CCOC(=O)C(Cc1ccc(O)cc1)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": ["C1CCOC1"], "agent": ["[H][H]", "[Pd]"]}
|
Using Nc1cc(OCCCC(=O)[O-])ccc1C=O, NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] to produce Nc1cc(OCCCC(=O)NCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1C=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": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2ccccc21)=[N+](C)C", "[Li+]"]}
|
Using [O-][Cl+][O-], CC(C)(C)OC(=O)c1c(CS(=O)(=O)c2ccccc2)ccc(-c2ccoc2C=O)c1O to produce CC(C)(C)OC(=O)c1c(CS(=O)(=O)c2ccccc2)ccc(-c2ccoc2C(=O)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", "O"], "agent": ["OO", "[Na+]", "O=P([O-])(O)O"]}
|
Using O=C([O-])[O-], Cn1nc(-c2ccc(C#N)cc2)sc1=NC1CC=CCC1 to produce Cn1nc(-c2ccc(C(N)=O)cc2)sc1=NC1CC=CCC1, 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": ["OO", "[Na+]"]}
|
Using CN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C#N)cc1[N+](=O)[O-] to produce CN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C#N)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": ["CCOC(C)=O", "O"], "agent": ["[Na+]", "[OH-]"]}
|
Using C=CC#N, O=c1[nH]nc2ccc(Cl)nn12 to produce N#CCCn1nc2ccc(Cl)nn2c1=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", "CN(C)C=O"], "agent": ["CC(C)(C)[O-]", "[K+]"]}
|
Using O=C(NC(Cc1ccccc1)C(=O)C(F)(F)F)c1ccccc1 to produce O=C(NC(Cc1ccccc1)C(O)C(F)(F)F)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": ["CCO"], "agent": ["[Na+]", "Cl", "[BH4-]"]}
|
Using O=C(Cl)C=Cc1cccc(S(=O)(=O)NCc2cccnc2)c1, NO to produce O=C(C=Cc1cccc(S(=O)(=O)NCc2cccnc2)c1)NO, 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": ["[Na+]", "Cl", "O=C([O-])O"]}
|
Using Cc1cccc(O)c1, COC(=O)CBr to produce COC(=O)COc1cccc(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 CS(=O)(=O)c1cnc(Cl)cn1, COC[C@H](C)Oc1cc(O)cc(-c2ccc(C3=N[C@H]([C@H](C)O)CO3)[nH]2)c1 to produce COC[C@H](C)Oc1cc(Oc2cnc(S(C)(=O)=O)cn2)cc(-c2ccc(C3=N[C@H]([C@H](C)O)CO3)[nH]2)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": ["CC#N", "O"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using O=S(=O)(Nc1cccc(O)c1)c1ccccc1, CC(=O)Cl to produce CC(=O)c1ccc(O)cc1NS(=O)(=O)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": ["CC(Cl)Cl"], "agent": ["[Al+3]", "[Cl-]", "Cl"]}
|
Using COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1N, O=Cc1cccc([N+](=O)[O-])c1 to produce COc1ccc(-c2cc3cc(F)c(F)cc3[nH]2)cc1NCc1cccc([N+](=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": ["CC(=O)O", "ClCCl"], "agent": ["[Na+]", "O=C([O-])O", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]}
|
Using CC(=NO)[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCN1C(=O)OC(C)(C)C to produce C[C@H](N)[C@@H]1[C@@H](O[Si](C)(C)C(C)(C)C)CCN1C(=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": ["O", "CO"], "agent": ["N", "[Pd]", "[Ni]"]}
|
Using O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCC#Cc1cc(Cl)ccc1NC(c1ccccc1)c1ccccc1 to produce O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCc1cc2cc(Cl)ccc2n1C(c1ccccc1)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": ["O"], "agent": ["[Cu]I"]}
|
Using O=S(=O)(c1ccccc1)n1c2c(c3ccccc31)CCN(CC(O)C1CCC3(CC1)OCCO3)C2 to produce O=C1CCC(C(O)CN2CCc3c(n(S(=O)(=O)c4ccccc4)c4ccccc34)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": ["C1CCOC1"], "agent": ["[Na+]", "Cl", "[OH-]"]}
|
Using CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC(C)(C)CN(S(=O)(=O)c2ccccn2)CC1O, O=C(O)c1cc2ccccc2o1 to produce CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NC1CC(C)(C)CN(S(=O)(=O)c2ccccn2)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": ["C1COCCO1", "CN1CCOCC1"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2ccccc21)=[N+](C)C", "Cl"]}
|
Using CC1(C)CC(c2cccc(Br)c2)Nc2ccc(C#N)cc21, CI to produce CN1c2ccc(C#N)cc2C(C)(C)CC1c1cccc(Br)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": ["[Na+]", "[H-]"]}
|
Using C[C@@H](O)CN, Cn1c(Nc2nc3ccc(C(F)(F)F)cc3s2)nc2cc(C(=O)O)ccc21 to produce C[C@@H](O)CNC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(C(F)(F)F)cc3s1)n2C, 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(On1nnc2ccccc21)=[N+](C)C"]}
|
Using CCCCCCCCCCCCCCCCCCBr, O=c1cc(CO)occ1O to produce CCCCCCCCCCCCCCCCCCOc1coc(CO)cc1=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", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]", "[I-]"]}
|
Using CC(=O)OC(C)=O, NCc1ccc2oc([N+](=O)[O-])c(-c3ccccc3)c2c1 to produce CC(=O)NCc1ccc2oc([N+](=O)[O-])c(-c3ccccc3)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(C)O"], "agent": ["Cl"]}
|
Using CC(C)(C)OC(=O)N1[C@@H]2C[C@@H](CC2=O)[C@H]1C(=O)N1CCC[C@H]1C#N, NO to produce CC(C)(C)OC(=O)N1[C@@H]2C[C@@H](C/C2=N\O)[C@H]1C(=O)N1CCC[C@H]1C#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": ["O", "CCO"], "agent": ["CC(=O)[O-]", "[Na+]", "Cl"]}
|
Using c1ccc2c(c1)CCNC2, CCOC(=O)c1cccnc1Cl to produce CCOC(=O)c1cccnc1N1CCc2ccccc2C1, 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-]", "[K+]", "Cl"]}
|
Using FC(CBr)c1ccc(Br)cc1 to produce C=C(F)c1ccc(Br)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": ["CCCCC"], "agent": ["CC(C)(C)[O-]", "[K+]"]}
|
Using O=C(Cl)c1ccc(Cl)cc1, CCOC(=O)Cc1nn(Cc2ccc(N)cc2)c2ccccc12 to produce CCOC(=O)Cc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)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(CC)CC"], "agent": ["[Na+]", "O=C([O-])O"]}
|
Using CCOP(=O)(CC#N)OCC, CSc1ccc2c(c1)C(=O)CCC2 to produce CSc1ccc2c(c1)C(=CC#N)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": ["CCOC(C)=O", "C1CCOC1"], "agent": ["[Na+]", "[H-]"]}
|
Using FC(F)(F)c1cn[nH]c1, Fc1cccc(Oc2csc(C(F)(F)F)c2)n1 to produce FC(F)(F)c1cnn(-c2cccc(Oc3csc(C(F)(F)F)c3)n2)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", "CC(=O)N(C)C"], "agent": ["[Na+]", "[H-]"]}
|
Using CC(=O)Oc1cccc2c1ccn2-c1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 to produce O=C(Nc1ccc(-n2ccc3c(O)cccc32)cc1)Nc1ccc(Cl)c(C(F)(F)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"], "agent": ["[Na+]", "Cl", "[OH-]"]}
|
Using OB(O)c1cccnc1, COc1cc2c(cc1Br)-c1c(Br)c3c(n1CC2)C(=O)N(C(C)(C)C)CCC3 to produce COc1cc2c(cc1-c1cccnc1)-c1c(Br)c3c(n1CC2)C(=O)N(C(C)(C)C)CCC3, 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": ["O=C([O-])[O-]", "[K+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]}
|
Using COC(=O)CCCCCS, CCCCCCCCCCCCC#CC(Br)CCCCC(=O)OC to produce CCCCCCCCCCCCC#CC(CCCCC(=O)OC)SCCCCCC(=O)OC, 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-]", "[Cs+]"]}
|
Using COc1cc(OC)c(Cl)c(NC(=O)N(Cc2cccnc2)c2cc(Nc3ccccc3[N+](=O)[O-])ncn2)c1Cl to produce COc1cc(OC)c(Cl)c(NC(=O)N(Cc2cccnc2)c2cc(Nc3ccccc3N)ncn2)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": ["CC(=O)O"], "agent": ["[Fe]"]}
|
Using COc1cc2c3ccccc3c3ccccc3c2cn1 to produce Oc1cc2c3ccccc3c3ccccc3c2cn1, 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", "c1ccncc1"], "agent": ["Cl"]}
|
Using O=C(Nc1ccc(C2CCC3(CC2)OCCO3)nc1)OCc1ccccc1 to produce O=C1CCC(c2ccc(NC(=O)OCc3ccccc3)cn2)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", "O=C(O)C(F)(F)F"], "agent": ["[Na+]", "[OH-]"]}
|
Using Cc1ccccc1-n1c(CO)cc2cccc(C)c2c1=O to produce Cc1ccccc1-n1c(C=O)cc2cccc(C)c2c1=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"], "agent": ["O=[Mn]=O"]}
|
Using CCOC(=O)c1cc(OC(C)=O)c2cc(CC)oc2c1 to produce CCOC(=O)c1cc(O)c2cc(CC)oc2c1, 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": ["O=C([O-])[O-]", "[K+]"]}
|
Using O=C(CCBr)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO, [N-]=[N+]=[N-] to produce [N-]=[N+]=NCCC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO, 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": ["[I-]", "[Na+]"]}
|
Using O=Cc1cc(Oc2ccccc2)ncc1[N+](=O)[O-], CC(C)(C)OC(=O)CC[C@H](N)C1CCCCC1 to produce CC(C)(C)OC(=O)CC[C@H](NCc1cc(Oc2ccccc2)ncc1[N+](=O)[O-])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": ["CCOC(C)=O", "ClCCl"], "agent": ["[Na+]", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]}
|
Using CN1CCCC1=O, CCOC(=O)c1cc(C2CC2)nc2[nH]ncc12 to produce CCOC(=O)c1cc(C2CC2)nc2c1cnn2N, 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": ["CC(C)(C)[O-]", "[K+]"]}
|
Using O=S(=O)(O)O, O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1CC1CO1 to produce O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1CC(O)CO, 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 O=C([O-])O, Cc1cc(C)c(N)c(N)c1 to produce Cc1cc(C)c2nc[nH]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": ["O=CO", "O"], "agent": ["[Na+]"]}
|
Using O=C(O)C(Sc1ccccc1)c1cc(Cl)cc(Cl)c1, CNCc1cccc(OC)c1 to produce COc1cccc(CN(C)C(=O)C(Sc2ccccc2)c2cc(Cl)cc(Cl)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": ["ClCCl"], "agent": ["O=C(n1ccnc1)n1ccnc1"]}
|
Using CCOC(=O)c1cn(Cc2ccccc2)nc1O, Cc1oc(-c2ccccc2)nc1COc1cccc(CCl)c1 to produce CCOC(=O)c1cn(Cc2ccccc2)nc1OCc1cccc(OCc2nc(-c3ccccc3)oc2C)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 Clc1nc(Cl)c2sccc2n1, COC(=O)c1ccccc1-c1ccc(CN)cc1 to produce COC(=O)c1ccccc1-c1ccc(CNc2nc(Cl)nc3ccsc23)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": ["C1CCOC1"], "agent": ["CC(=O)[O-]", "[Na+]", "Cl"]}
|
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