problem
stringlengths 236
970
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stringlengths 34
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Using C#CCNC, O=C1Nc2ccc(F)c(I)c2/C1=C/c1ccc[nH]1 to produce CNCC#Cc1c(F)ccc2c1/C(=C/c1ccc[nH]1)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": ["c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]}
|
Using CN(C)CCn1cc(-c2ccc(F)c(Cl)c2)nc1C1(O)CCN(C(=O)OC(C)(C)C)CC1 to produce CN(C)CCn1cc(-c2ccc(F)c(Cl)c2)nc1C1(O)CCNCC1, please predict the 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 CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(N)=S, CCOC(CBr)OCC to produce CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nccs1, please predict the 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", "CC(C)=O"], "agent": ["Cl"]}
|
Using O=C1CCC(=O)N1Br, OCc1ccc2nc(Cl)nc(N3CCOCC3)c2n1 to produce Clc1nc(N2CCOCC2)c2nc(CBr)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": ["ClCCl"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1"]}
|
Using COC(=O)[C@@H]1Cc2ccccc2N1C(=O)COc1cccc2ccccc12 to produce O=C(O)[C@@H]1Cc2ccccc2N1C(=O)COc1cccc2ccccc12, please predict the 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+]", "[OH-]"]}
|
Using CC(C)(C)OC(=O)N[C@@]1(C(=O)OCc2ccccc2)CC(=O)[C@H]2[C@H](C(=O)OCc3ccccc3)[C@H]21 to produce CC(C)(C)OC(=O)N[C@@]1(C(=O)OCc2ccccc2)C[C@H](O)[C@H]2[C@H](C(=O)OCc3ccccc3)[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": ["C1CCOC1"], "agent": ["[Li+]", "CCC(C)[BH-](C(C)CC)C(C)CC"]}
|
Using c1c[nH]cn1, N#CCCc1ccc(Br)cc1 to produce N#CCCc1ccc(-n2ccnc2)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=[N+]([O-])c1ccccc1"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using CCOC(=O)CC(=O)CC(O)C(C)Oc1ccccc1 to produce CCOC(=O)CC(O)CC(O)C(C)Oc1ccccc1, please predict the 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=S(=O)(O)O", "[Na+]", "[BH4-]"]}
|
Using N#CCC(CCCI)(c1ccccc1)c1ccccc1, COc1ccc2c(c1)CCC1(CCCCN1)C2 to produce COc1ccc2c(c1)CCC1(CCCCN1CCCC(CC#N)(c1ccccc1)c1ccccc1)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#N", "CCN(CC)CC"], "agent": ["O=C([O-])[O-]", "[K+]", "Cl"]}
|
Using CC(C)C(C(N)=O)c1ccc(Cl)cc1, BrCc1cccc(Oc2ccccc2)c1 to produce CC(C)C(C(=N)OCc1cccc(Oc2ccccc2)c1)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": ["CCOCC", "ClCCl"], "agent": ["F[B-](F)(F)F", "[Ag+]"]}
|
Using CCOC(=S)[S-], Cc1cccc(O)c1N to produce Cc1cccc2oc(S)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": ["CCO"], "agent": ["[K+]"]}
|
Using CCCC[Sn](CCCC)(CCCC)c1ccc2c(c1)-c1c3c(c4c([nH]c5ccccc54)c1C2)C(=O)NC3, II to produce O=C1NCc2c3c(c4[nH]c5ccccc5c4c21)Cc1ccc(I)cc1-3, please predict the 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=S([O-])O", "[Na+]"]}
|
Using O=C(Nc1cc2ccc(O)cc2cn1)C1CC1, CCOC(=O)[C@H](C)O to produce COC(=O)[C@@H](C)Oc1ccc2cc(NC(=O)C3CC3)ncc2c1, please predict the 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": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CCOC(=O)N=NC(=O)OCC"]}
|
Using O=C(Cl)c1ccc(I)cc1, COc1ccc(-c2cc3ccc(OC)cc3s2)cc1 to produce COc1ccc(-c2sc3cc(OC)ccc3c2C(=O)c2ccc(I)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"], "agent": ["[Al+3]", "[Cl-]"]}
|
Using C=C[Sn](CCCC)(CCCC)CCCC, O=C1Nc2ccccc2Nc2nnc(Cl)cc21 to produce C=Cc1cc2c(nn1)Nc1ccccc1NC2=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": ["Cc1ccccc1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1"]}
|
Using N#CC=Cc1ccc(Oc2cccc(C(F)(F)F)c2)cc1 to produce N#CCCc1ccc(Oc2cccc(C(F)(F)F)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": ["[Na+]", "[BH4-]"]}
|
Using Ic1c[nH]cn1, ClCCBr to produce ClCCn1cnc(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": ["O", "C1CCOC1"], "agent": ["[Na+]", "[H-]"]}
|
Using CC[C@H](NC(=O)OC(C)(C)C)C(=O)O, COC(=O)C1Cc2cc(OC(F)(F)F)ccc2N1 to produce CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1c2ccc(OC(F)(F)F)cc2CC1C(=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": ["ClCCl"], "agent": ["CC(C)N=C=NC(C)C"]}
|
Using CC1(Cc2cncnc2)C(=O)N(c2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)c2ccc(-c3ccc(F)c(Cl)c3)cc21 to produce CC1(Cc2cncnc2)C(=O)N(c2nc[nH]n2)c2ccc(-c3ccc(F)c(Cl)c3)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": ["ClCCl", "CO"], "agent": ["Cl"]}
|
Using CC(=O)O, O=C(O)COc1cc2c(c(Cl)c1Cl)C1=CC(=O)CCC1(CCO)C2 to produce CC(=O)OCCC12CCC(=O)C=C1c1c(cc(OCC(=O)O)c(Cl)c1Cl)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": ["C1CCOC1"], "agent": ["O=C(n1ccnc1)n1ccnc1"]}
|
Using Clc1ncnc2sc3c(c12)CCNC3, CN(C)C/C=C/C(=O)O to produce CN(C)C/C=C/C(=O)N1CCc2c(sc3ncnc(Cl)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": ["C1CCOC1", "CCN(C(C)C)C(C)C"], "agent": ["CCN=C=NCCCN(C)C", "CN(C)c1ccncc1", "Cl"]}
|
Using COC(=O)[C@H](CSc1ccc(Br)cc1N)NC(=O)OC(C)(C)C to produce CC(C)(C)OC(=O)N[C@@H](CSc1ccc(Br)cc1N)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": ["COC(C)(C)C"], "agent": ["[Na+]", "[OH-]"]}
|
Using CC(C)(C)OC(=O)Nc1ccc(O)cc1, O=Cc1ccc(Cl)c([N+](=O)[O-])c1 to produce CC(C)(C)OC(=O)Nc1ccc(Oc2ccc(C=O)cc2[N+](=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": ["CS(C)=O"], "agent": ["[K+]", "[OH-]"]}
|
Using CCOC(=N)CNC(C)=O, Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1NC1CCOCC1 to produce CC(=O)NCc1nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2n1C1CCOCC1, please predict the 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+]", "Cl"]}
|
Using OCCCCCc1ccccc1, Cc1ccc2c(=O)[nH]c(Cl)nc2n1 to produce Cc1ccc2c(=O)[nH]c(OCCCCCc3ccccc3)nc2n1, please predict the 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 Cc1ccc(S(=O)(=O)Cl)cc1, COc1cc2ncnc(N3CCC(C(C)(O)CO)CC3)c2cc1OC to produce COc1cc2ncnc(N3CCC(C(C)(O)COS(=O)(=O)c4ccc(C)cc4)CC3)c2cc1OC, please predict the 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", "ClC(Cl)Cl"], "agent": ["[Na+]", "O=C([O-])O"]}
|
Using COc1ccc(-n2nc(C(C)(C)C)cc2N)cc1 to produce CC(C)(C)c1cc(N)n(-c2ccc(O)cc2)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": ["CCOC(C)=O", "ClCCl"], "agent": ["[Al+3]", "[Cl-]"]}
|
Using COC(=O)C(C)(C)CO, Cc1ccc(S(=O)(=O)Cl)cc1 to produce COC(=O)C(C)(C)COS(=O)(=O)c1ccc(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": ["ClCCl"], "agent": ["CN(C)c1ccncc1"]}
|
Using CI, CC1(C)CN([C@@H]2CCC(F)(F)C2)c2nc(Cl)ncc2NC1=O to produce CN1C(=O)C(C)(C)CN([C@@H]2CCC(F)(F)C2)c2nc(Cl)ncc21, please predict the 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": ["[Na+]", "[H-]"]}
|
Using CC(O)C1C(=O)c2ccccc2OC12CCN(C(=O)OC(C)(C)C)CC2 to produce CC(=O)C1C(=O)c2ccccc2OC12CCN(C(=O)OC(C)(C)C)CC2, please predict the 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": ["CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21"]}
|
Using C=CCO[C@H]1O[C@H](COS(=O)(=O)c2ccc(C)cc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1, [OH-] to produce Cc1ccc(S(=O)(=O)OC[C@H]2O[C@H](OCCCO)[C@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2OCc2ccccc2)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", "C1CCOC1"], "agent": ["OO", "[Na+]", "B1C2CCCC1CCC2"]}
|
Using N#CC1CCCCN1C(=O)c1ccccc1, ICCc1ccccc1 to produce N#CC1(CCc2ccccc2)CCCCN1C(=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": ["O", "C1CCOC1"], "agent": ["CC(C)[N-]C(C)C", "[Li+]"]}
|
Using COC(=O)Cc1cc2ccc(F)cc2c(C2CCN(C(=O)Nc3ccc(Cl)cc3Cl)CC2)c1C to produce Cc1c(CC(=O)O)cc2ccc(F)cc2c1C1CCN(C(=O)Nc2ccc(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": ["O", "C1CCOC1"], "agent": ["[Li+]", "[OH-]"]}
|
Using CCCn1c(=O)c2[nH]c(C34CCC(CCC(=O)NCCC#N)(CC3)CC4)nc2n(CCC)c1=O, C[Si](C)(C)N=[N+]=[N-] to produce CCCn1c(=O)c2[nH]c(C34CCC(CCc5nnnn5CCC#N)(CC3)CC4)nc2n(CCC)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": ["C1CCOC1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CCOC(=O)/N=N/C(=O)OCC"]}
|
Using CC(C)C1CCc2ncnc(N3CC4(CCN(Cc5ccccc5)CC4)c4c(CNC(=O)OC(C)(C)C)cccc43)c21 to produce CC(C)C1CCc2ncnc(N3CC4(CCN(Cc5ccccc5)CC4)c4c(CN)cccc43)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": ["C1COCCO1", "ClCCl"], "agent": ["Cl"]}
|
Using Cc1noc(-c2ccc(Br)cc2)c1NC(=O)CCc1ccccc1, O=C(O)c1cccc(B(O)O)c1 to produce Cc1noc(-c2ccc(-c3cccc(C(=O)O)c3)cc2)c1NC(=O)CCc1ccccc1, please predict the 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 N=C(N)COCCc1cccc(Cl)c1, CCCCc1cnc(Cl)c(C(=O)O)c1 to produce CCCCc1cnc(Cl)c(C(=O)NC(=N)COCCc2cccc(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": ["CCN(C(C)C)C(C)C"], "agent": ["CN(C)C(On1nnc2ccccc21)=[N+](C)C", "F[B-](F)(F)F", "Cl"]}
|
Using CC(C)(C)OC(=O)Cn1nc(C#N)c2cccnc21, NO to produce CC(C)(C)OC(=O)Cn1nc(C(=N)NO)c2cccnc21, please predict the 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(CC)CC"], "agent": ["Cl"]}
|
Using ClCCN1CCCC1, Cc1n[nH]c2ccc(Br)cc12 to produce Cc1nn(CCN2CCCC2)c2ccc(Br)cc12, please predict the 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", "CS(C)=O"], "agent": ["O=C([O-])[O-]", "[Cs+]", "Cl"]}
|
Using NS(=O)(=O)c1ccc(NC(=O)CBr)c(Cl)c1, O=c1[nH]ccc(C(F)(F)F)c1Oc1cc(Cl)cc(Br)c1 to produce NS(=O)(=O)c1ccc(NC(=O)Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(Br)c3)c2=O)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": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using [N-]=[N+]=NCCc1ccc(C(N)=O)cc1 to produce NCCc1ccc(C(N)=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": ["O=S(Cl)Cl", "CCO"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "N"]}
|
Using CCOC(=O)CCc1cn(Cc2ccc(OCc3nc4ccccc4n3C)cc2)nc1OCC to produce CCOc1nn(Cc2ccc(OCc3nc4ccccc4n3C)cc2)cc1CCC(=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": ["CCO", "C1CCOC1"], "agent": ["[Na+]", "Cl", "[OH-]"]}
|
Using CS(=O)(=O)OCC(F)(F)F, CC(C)N1CCN(C(=O)c2ccc3[nH]c(C(=O)N4CCS(=O)(=O)CC4)cc3c2)CC1 to produce CC(C)N1CCN(C(=O)c2ccc3c(c2)cc(C(=O)N2CCS(=O)(=O)CC2)n3CC(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": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]}
|
Using O=C(c1ccccc1)c1ccc(C(F)(F)F)cc1, CC(C)(C)OC(=O)N1CCCC(=O)C1 to produce FC(F)(F)c1ccc(C(=C2CCCNC2)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": ["C1CCOC1", "CCCCC"], "agent": ["[Zn]", "Cl[Ti](Cl)(Cl)Cl"]}
|
Using C=C1CC(=O)O1, N[C@@H](CC(=O)O)C(=O)O to produce CC(=O)CC(=O)N[C@@H](CC(=O)O)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": ["O", "CCC(C)=O"], "agent": ["O=S(=O)(O)O", "[Na+]", "[OH-]"]}
|
Using COC(=O)C(OC(C)(C)C)c1c(-c2ccc3c(c2C)CCCO3)c2ccc(OCCO)cc2c(=O)n1C to produce Cc1c(-c2c(C(OC(C)(C)C)C(=O)O)n(C)c(=O)c3cc(OCCO)ccc23)ccc2c1CCCO2, please predict the 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+]", "[OH-]"]}
|
Using Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C(=O)OCc2ccccc2)cc1 to produce Cc1ccc(S(=O)(=O)NC(=N)NCCC[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N2CCC[C@H]2C(=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": ["ClC(Cl)Cl", "CO"], "agent": ["[Na+]", "[OH-]"]}
|
Using CNC(=O)[C@@H](Cc1ccccc1)N(C[C@H](N)Cc1ccc2ccccc2c1)C(=O)CCl to produce CNC(=O)[C@@H](Cc1ccccc1)N1C[C@@H](Cc2ccc3ccccc3c2)NCC1=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", "CO"], "agent": ["[Na+]", "O=C([O-])O"]}
|
Using CCOC(=O)C1(C(O[Si](C)(C)C(C)(C)C)C(C)N(Cc2ccccc2)Cc2ccccc2)CC1 to produce CC1NC(=O)C2(CC2)C1O[Si](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": ["CO"], "agent": ["[C]", "[OH-]", "[Pd+2]"]}
|
Using CN(C(=O)OC(C)(C)C)C1CCN(c2ccc3ncc(Br)n3n2)C1, OB(O)c1ccncc1 to produce CN(C(=O)OC(C)(C)C)C1CCN(c2ccc3ncc(-c4ccncc4)n3n2)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+]", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]}
|
Using OC1(c2ccccc2)CCNCC1, CC(C)(C)OC(=O)c1ccc(F)cc1 to produce CC(C)(C)OC(=O)c1ccc(N2CCC(O)(c3ccccc3)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": ["CCOCC", "CS(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using CSc1ccc(-c2cnc3ccc(Br)cn23)s1, OB(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)nc1-c1ccc(F)cc1 to produce CSc1ccc(-c2cnc3ccc(-c4cn(C(c5ccccc5)(c5ccccc5)c5ccccc5)nc4-c4ccc(F)cc4)cn23)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": ["CCO", "Cc1ccccc1"], "agent": ["O=C([O-])[O-]", "[Na+]"]}
|
Using COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCN(S(C)(=O)=O)CC3)nc2c1 to produce CS(=O)(=O)N1CCN(c2nc3cc(C(=O)O)ccc3nc2-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": ["O", "CO"], "agent": ["[Na+]", "[OH-]"]}
|
Using Cc1ccc([N+](=O)[O-])cc1C(=O)O to produce Cc1ccc(N)cc1C(=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": ["CCO"], "agent": ["Cl", "[Pd]"]}
|
Using CC(C)(C)OC(=O)N1CCN(C(C#N)=Cc2ccccc2)CC1, [N-]=[N+]=[N-] to produce CC(C)(C)OC(=O)N1CCN(c2nn[nH]c2-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": ["CS(C)=O"], "agent": ["[Na+]"]}
|
Using Cc1nc(Br)cc(Br)c1O to produce Cc1nc(Br)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": ["CCCCCC", "C1CCOC1"], "agent": ["[Li]CCCC"]}
|
Using C=CC(=O)Cl, Cc1ccc(C)cc1 to produce Cc1ccc(C)c2c1CCC2=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", "ClCCl"], "agent": ["[Al+3]", "[Cl-]", "Cl"]}
|
Using O=C(O)c1ccc(O)cc1C(F)(F)F, CO to produce COC(=O)c1ccc(O)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": ["O"], "agent": ["O=S(=O)(O)O"]}
|
Using FC(F)(F)c1ccc2c(n1)CCNC2, Cc1cc(Br)cc(C)c1NC(=O)CC(C)(C)C to produce Cc1cc(N2CCc3nc(C(F)(F)F)ccc3C2)cc(C)c1NC(=O)CC(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": ["Cc1ccccc1"], "agent": ["CC(C)(C)[O-]", "[K+]"]}
|
Using CCc1cc2c(cc1CC)CC(N(Cc1ccccc1)C[C@H](O)c1ccc(OCc3ccccc3)c([N+](=O)[O-])c1)C2 to produce CCc1cc2c(cc1CC)CC(N(Cc1ccccc1)C[C@H](O)c1ccc(OCc3ccccc3)c(N)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": ["Cc1ccccc1", "C1CCOC1"], "agent": ["O=[Pt]=O"]}
|
Using CCOC(=O)C(Cc1cccc2cccnc12)(NC(=O)CC)C(=O)OCC to produce CCOC(=O)C1(NC(=O)CC)Cc2cccc3c2N(CCC3)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"], "agent": ["[H][H]"]}
|
Using CC(C)(C)OC(=O)NCc1nc(C#N)cs1, Nc1ccccc1N to produce CC(C)(C)OC(=O)NCc1nc(-c2nc3ccccc3[nH]2)cs1, please predict the 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": ["CO[Na]", "Cl"]}
|
Using CN1CCOCC1, CCNC(=O)Nc1nc2cc(-c3cnc(N4CCC(C)(C(=O)OCC)CC4)nc3)cc(Br)c2s1 to produce CCOC(=O)C1(C)CCN(c2ncc(-c3cc(Br)c4sc(N5CN(C)CN(CC)C5=O)nc4c3)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": ["CCO"], "agent": ["CN", "C=O"]}
|
Using CC(=O)CCC(C)=O, C[C@@H]1Cc2cc(N)ccc2N1 to produce Cc1ccc(C)n1-c1ccc2c(c1)C[C@@H](C)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": ["C1CCOC1"], "agent": ["Cc1ccc(S(=O)(=O)O)cc1"]}
|
Using CCOC(=O)C=C1CCN(Cc2ccccc2)CC1, N#Cc1c(-c2ccc(Oc3ccccc3)cc2)n[nH]c1N to produce N#Cc1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NC(=O)CC21CCN(Cc2ccccc2)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=C(n1ccnc1)n1ccnc1, CCOC(=O)C(=CNc1ccc(NCCO)cc1)C(=O)OCC to produce CCOC(=O)C(=CNc1ccc(N2CCOC2=O)cc1)C(=O)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": ["CCOC(C)=O", "Cc1ccccc1"], "agent": ["O=P([O-])([O-])[O-]"]}
|
Using O=C(O)/C=C/c1ccccc1[N+](=O)[O-], CCc1cc(C(=O)c2ccccc2Cl)c(-n2c(C)nnc2CN)s1 to produce CCc1cc(C(=O)c2ccccc2Cl)c(-n2c(C)nnc2CNC(=O)/C=C/c2ccccc2[N+](=O)[O-])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": ["CCN(CC)CC"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C", "Cc1ccc(S(=O)(=O)O)cc1"]}
|
Using COC(=O)c1ccc2nc(-c3cc(OCc4ccccc4)ccc3OC(C)C)[nH]c2n1 to produce CC(C)Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc(CO)nc2[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": ["[Al+3]", "[Li+]", "[H-]"]}
|
Using CC(C)OC(=O)N1CCC(O)CC1, COc1c(Cl)ncnc1Cl to produce COc1c(Cl)ncnc1OC1CCN(C(=O)OC(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": ["C1CCOC1"], "agent": ["CC(C)(C)[O-]", "[K+]"]}
|
Using COc1cc2c(c(Cl)c1Cl)C(=O)C(C)C2c1ccccc1, CI to produce COc1cc2c(c(Cl)c1Cl)C(=O)C(C)(C)C2c1ccccc1, please predict the 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": ["C[O-]", "[Na+]"]}
|
Using CC[C@H]1CCN[C@@H]1C(C(=O)OC(C)(C)C)N1CCC[C@H]1C(=O)OC to produce CC[C@H]1CCN[C@@H]1C(C(=O)OC(C)(C)C)N1CCC[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": ["CO"], "agent": ["[Na+]", "Cl", "[OH-]"]}
|
Using OCc1coc(CCl)n1, CCI to produce CCOCc1coc(CCl)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": ["ClCCl"], "agent": ["N#N"]}
|
Using CC(C(=O)O)c1ccc(CBr)cc1, [N-]=[N+]=[N-] to produce CC(C(=O)O)c1ccc(CN=[N+]=[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": ["C1COCCO1"], "agent": ["[Na+]", "C1COCCOCCOCCOCCO1"]}
|
Using O=C(CCl)N(CCN1C(=O)c2ccccc2C1=O)CCN1C(=O)c2ccccc2C1=O to produce O=C1CNCCN1CCN1C(=O)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": ["CCO", "O"], "agent": ["NN"]}
|
Using CC(C)(C)OC(=O)N1CCN(c2ccc(N3CCN(S(=O)(=O)C4CC4)CC3)cn2)c2ccccc21 to produce O=S(=O)(C1CC1)N1CCN(c2ccc(N3CCNc4ccccc43)nc2)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"], "agent": ["Cl"]}
|
Using COC(CCBr)OC, N#Cc1ncccc1-c1c[nH]c(=O)[nH]c1=O to produce COC(CCn1cc(-c2cccnc2C#N)c(=O)[nH]c1=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": ["O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]", "Cl"]}
|
Using COC(=O)C1CCNC(CCc2ccc(F)cc2)C1, COC(=O)Cl to produce COC(=O)C1CCN(C(=O)OC)C(CCc2ccc(F)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", "CCN(C(C)C)C(C)C"], "agent": ["Cl"]}
|
Using COC(=O)c1cc(Cl)cc(C=O)c1O, COC(=O)C(Br)c1ccccc1 to produce O=C(O)c1cc(Cl)cc2cc(-c3ccccc3)oc12, please predict the 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(F)(F)Oc1ccc(Nc2ncnc3ccc(Cl)nc23)cc1, CC1(C)OB(c2cnc(Cl)c(NS(=O)(=O)c3ccc(F)cc3F)c2)OC1(C)C to produce O=S(=O)(Nc1cc(-c2ccc3ncnc(Nc4ccc(OC(F)(F)F)cc4)c3n2)cnc1Cl)c1ccc(F)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": ["C1COCCO1"], "agent": ["[Na+]", "O=C([O-])O"]}
|
Using N#Cc1cccc2[nH]ncc12, II to produce N#Cc1cccc2[nH]nc(I)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": ["CN(C)C=O"], "agent": ["[K+]", "[OH-]"]}
|
Using COC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C to produce Cc1nc(NC(=O)OC(C)(C)C)sc1CO, please predict the 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": ["[Al+3]", "[Li+]", "[H-]"]}
|
Using O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F, CC(C)(C)OC(=O)N[C@@H](C[C@H](Cc1ccc(OCCO)c(OC(C)(C)C)c1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C to produce CC(C)(C)OC(=O)N[C@@H](C[C@H](Cc1ccc(OCCF)c(OC(C)(C)C)c1)C(=O)OC(C)(C)C)C(=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": ["C1CCOC1", "CCN(CC)CC"], "agent": ["F"]}
|
Using COC(=O)C1CCN(Cc2ccccc2)CC1c1cccc(Br)c1 to produce O=C1c2ccc(Br)cc2[C@H]2CN(Cc3ccccc3)CC[C@@H]12, please predict the 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-]", "[NH4+]"]}
|
Using COC(=O)[C@H](Cc1c[nH]c2ccccc12)N(Cc1ccccc1)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)N to produce CSCC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)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": ["CCO"], "agent": ["[Pd]"]}
|
Using CC(C)(C)OC(=O)Nc1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)c1, CI to produce CN(C(=O)OC(C)(C)C)c1cccc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)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": ["[Na+]", "[H-]"]}
|
Using O=[N+]([O-])c1cccc2c1OCC=CC2 to produce Nc1cccc2c1OCCCC2, please predict the 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 CCCS, CC1(C)CC(=O)c2c(S(C)(=O)=O)sc(C(=O)N3CCCC3)c2C1 to produce CCCSc1sc(C(=O)N2CCCC2)c2c1C(=O)CC(C)(C)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": ["CCO"], "agent": ["[Na+]", "[OH-]"]}
|
Using Cc1cc(N)cc2cc(Br)cnc12, [OH-] to produce Cc1cc(O)cc2cc(Br)cnc12, please predict the 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=P(O)(O)O", "[Na+]"]}
|
Using COCCCNC(=O)c1ccc(-n2ncc(-c3ccc(CC#N)c(F)c3)c2OC)nc1 to produce COCCCNC(=O)c1ccc(-n2ncc(-c3ccc(CC#N)c(F)c3)c2O)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": ["CC(=O)N(C)C", "CS(C)=O"], "agent": ["[Cl-]", "[Li+]"]}
|
Using O=C(NC1=N[C@@]2(c3ccc(F)s3)CN(c3ncc(F)cn3)C[C@H]2CS1)c1ccccc1 to produce NC1=N[C@@]2(c3ccc(F)s3)CN(c3ncc(F)cn3)C[C@H]2CS1, please predict the 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": ["[Li+]", "[OH-]"]}
|
Using CNCCCN1c2ccccc2CCc2ccccc21, CCOP(=O)(Cl)OCC to produce CCOP(=O)(OCC)N(C)CCCN1c2ccccc2CCc2ccccc21, please predict the 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=CO, Brc1ccc(C2CCCN2)cc1 to produce CN1CCCC1c1ccc(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": ["O"], "agent": ["C=O"]}
|
Using Cc1c(N2CCN(Cc3ccc(C(F)(F)F)o3)CC2)c(=O)[nH]c(=O)n1Cc1c(F)cccc1C(F)(F)F, CC(C)(C)[Si](C)(C)O[C@@H](COS(C)(=O)=O)c1ccccc1 to produce Cc1c(N2CCN(Cc3ccc(C(F)(F)F)o3)CC2)c(=O)n(C[C@H](O[Si](C)(C)C(C)(C)C)c2ccccc2)c(=O)n1Cc1c(F)cccc1C(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": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]}
|
Using COC(=O)c1ccc(OCc2ccc(F)c(F)c2)c(Cl)c1 to produce O=C(O)c1ccc(OCc2ccc(F)c(F)c2)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", "CO"], "agent": ["[Na+]", "[OH-]"]}
|
Using O=C(C=CCC1Cc2ccccc2C1)OCc1ccccc1 to produce O=C(O)CCCC1Cc2ccccc2C1, please predict the 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 COC(=O)[C@H]1CN(CC#Cc2cc(F)cc(F)c2F)CC[C@H]1CCC(=O)c1ccnc2ccc(OC)cc12 to produce COc1ccc2nccc(C(=O)CC[C@@H]3CCN(CC#Cc4cc(F)cc(F)c4F)C[C@@H]3C(=O)O)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", "ClC(Cl)Cl"], "agent": ["[Na+]", "Cl", "O=C([O-])O"]}
|
Using C[C@H](N)C(=O)O, O=C(OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O to produce C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)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": ["C1COCCO1", "O"], "agent": ["O=C([O-])[O-]", "[Na+]", "Cl"]}
|
Using Cc1ccc(-c2ccc3c(c2)C(=O)CCCO3)cc1 to produce Cc1ccc(-c2ccc3c(c2)C=CCCO3)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", "O"], "agent": ["[Na+]", "[BH4-]"]}
|
Using CCOCn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CN(C(=O)OC(C)(C)C)CC2 to produce CCOCn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CNCC2, please predict the 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", "CCOCC"], "agent": ["Cl"]}
|
Using CC#CCn1c(Br)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C, N[C@@H]1CCCNC1 to produce CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)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"], "agent": ["O=C([O-])[O-]", "[K+]", "Cl"]}
|
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