smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
ClC1=C(C=CC=C1)CN1N=NC2=C1N=C(NC2=O)C(C)C>C(C)(C)N(C(C)C)CC.P(=O)(Cl)(Cl)Cl.C(C)N(C1=CC=CC=C1)CC>ClC1=C(C=CC=C1)CN1N=NC2=C1N=C(N=C2N2CC(CC2)(F)F)C(C)C | 3 |
FC(CN)(F)F.CC1=C2C=CN(C(C2=C(C=C1)[N+](=O)[O-])=O)CC(=O)O>ClCCl.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>CC1=C2C=CN(C(C2=C(C=C1)[N+](=O)[O-])=O)CC(=O)NCC(F)(F)F | 3 |
CON=C(CCC1CCCC1)C1=CC=C(C=C1)Cl>>CON=C(C(CC1CCCC1)Br)C1=CC=C(C=C1)Cl | 5 |
BrCCC=C.ClC1=CC=C(CC2(CC(C2)C(=O)N(C)OC)NC=O)C=C1>>ClC1=CC=C(CC2(CC(C2)C(CCC=C)=O)NC=O)C=C1 | 5 |
ClCCNC(=O)NC1CC1>C1CCCO1.[H-].[Na+].[Cl-].[NH4+]>C1(CC1)N1C(NCC1)=O | 3 |
[C-]#N.[Na+].C(C)(C)(C)OC(N(C1=CC=C(C=C1)C#N)CC=1C=NC(=C(C1C)OCC1=CC(=CC=C1)C#N)C=O)=O>>COC(=O)C1=NC=C(C(=C1OCC1=CC(=CC=C1)C#N)C)CN(C1=CC=C(C=C1)C#N)C(=O)OC(C)(C)C | 5 |
[CH:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][C:2]=1[CH2:11][O:12][CH:13]1[CH:18]([C:19]2[CH:20]=[N:21][C:22]([CH2:25][CH2:26][N:27]3[C:31]4[CH:32]=[CH:33][CH:34]=[CH:35][C:30]=4[S:29][C:28]3=[S:36])=[CH:23][CH:24]=2)[CH2:17][CH2:16][N:15](C(OC(C)(C)C)=O)[CH2:14]1>[Br-].[Zn+2].[Br-]>[CH:1]1[C:10]2[C:5]... | 1 |
O1CCC(C2=CC=CC=C12)=O>>O1CC\C(\C2=CC=CC=C12)=N/O | 5 |
[CH3:1][C:2]([C:4]1[CH:9]=[CH:8][C:7](Br)=[CH:6][CH:5]=1)=[O:3].[C:11]([Si](C)(C)C)#[CH:12].C(N(CC)CC)C.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O.CO.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.[Cu]I>[C:11]([C:7]1[CH:8]=[CH:9][C:4]([C:2](=[O:3])[CH3:1])=[CH:5][CH:6]=1)#[CH:12] | 1 |
Cl.C(C)N1C(CNCC1)=O.BrCC1=CC=C(COC2=C3CN(C(C3=CC=C2)=O)C2C(NC(CC2)=O)=O)C=C1>C(C)(C)N(C(C)C)CC>C(C)N1C(CN(CC1)CC1=CC=C(COC2=C3CN(C(C3=CC=C2)=O)C2C(NC(CC2)=O)=O)C=C1)=O | 3 |
BrC1=C(C=CC=C1)CC[C@H](C1=CC(=CC=C1)C=O)SCC1(CC1)CC(=O)OC.[Br-].FC=1C=C2C=CC(=NC2=CC1F)C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>C1CCCO1.C(CCC)[Li].CCCCCC>BrC1=C(C=CC=C1)CC[C@H](C1=CC(=CC=C1)C=CC1=NC2=CC(=C(C=C2C=C1)F)F)SCC1(CC1)CC(=O)OC | 3 |
FC(CO)F.ClCC1=NC(=NO1)C=1C=CC(=C(C1)NC(=O)C1=CN=C2N1C=CC=C2)C>>FC(COCC1=NC(=NO1)C=1C=CC(=C(C1)NC(=O)C1=CN=C2N1C=CC=C2)C)F | 5 |
C(OC)(OC)OC.C1=2C(=O)OC(NC1=CC=CC2)=O.[N+](=O)([O-])[O-].[La+3].[N+](=O)([O-])[O-].[N+](=O)([O-])[O-].NC=1C(=C(C=CC1)C1=CN=C(C=2NC3=CC(=CC=C3C21)Br)C(=O)N)C>>BrC1=CC=C2C3=C(NC2=C1)C(=NC=C3C3=C(C(=CC=C3)N3C=NC1=CC=CC=C1C3=O)C)C(=O)N | 5 |
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([CH:7]([C:9]2[CH:14]=[CH:13][C:12]([Cl:15])=[CH:11][C:10]=2[Cl:16])O)[CH:2]=1.S(Cl)([Cl:19])=O>C(Cl)(Cl)Cl>[ClH:15].[Cl:19][CH:7]([C:3]1[CH:2]=[N:1][CH:6]=[CH:5][CH:4]=1)[C:9]1[CH:14]=[CH:13][C:12]([Cl:15])=[CH:11][C:10]=1[Cl:16] | 1 |
FC(F)(F)C1C=CC(S([Cl:12])(=O)=O)=CC=1.NC1CCN([CH2:22][CH2:23][NH:24][C:25]([NH:27][C:28]2[C:37]3[C:32](=[CH:33][CH:34]=[CH:35][CH:36]=3)[N:31]=[C:30]([CH3:38])[CH:29]=2)=[O:26])CC1.CCN(C(C)C)C(C)C>C1COCC1>[Cl:12][CH2:22][CH2:23][NH:24][C:25]([NH:27][C:28]1[C:37]2[C:32](=[CH:33][CH:34]=[CH:35][CH:36]=2)[N:31]=[C:30]([CH... | 2 |
CC1=CC=C(C(=O)C2=C(C(=O)O)C=C(C(=C2)C(=O)O)C(C2=CC=C(C=C2)C)=O)C=C1>>CC1=CC=C(CC2=C(C(=O)O)C=C(C(=C2)C(=O)O)CC2=CC=C(C=C2)C)C=C1 | 5 |
[CH3:1][NH:2][C:3]1[CH:4]=[C:5]([CH:8]=[CH:9][CH:10]=1)[C:6]#[N:7].Cl[CH2:12][CH2:13][CH2:14][OH:15].C([O-])([O-])=O.[Ca+2]>O>[OH:15][CH2:14][CH2:13][CH2:12][N:2]([CH3:1])[C:3]1[CH:4]=[C:5]([CH:8]=[CH:9][CH:10]=1)[C:6]#[N:7] | 1 |
[Si](C)(C)(C(C)(C)C)OCCBr.N1C=C(C2=CC=CC=C12)CCC(=O)O>N(C)(C)C=O.[H-].[Na+]>[Si](C)(C)(C(C)(C)C)OCCN1C=C(C2=CC=CC=C12)CCC(=O)O | 3 |
[NH2:1][C:2]1[C:7]([NH2:8])=[C:6]([CH3:9])[CH:5]=[CH:4][C:3]=1[CH3:10].[CH:11](O)=O.Cl.[OH-].[NH4+]>O>[CH3:9][C:6]1[C:7]2[NH:8][CH:11]=[N:1][C:2]=2[C:3]([CH3:10])=[CH:4][CH:5]=1 | 1 |
N12C(CC(CC1)CC2)C(=O)OCC.[N+](=O)([O-])C=C>C1CCCO1.C(CCC)[Li].C(C)(C)[N-]C(C)C.[Li+]>[N+](=O)([O-])CCC1(N2CCC(C1)CC2)C(=O)OCC | 3 |
C(C)N=C=O.C(C)OC(=O)C1=C(C=CC=C1)C=1NC(C(N1)=O)(C)C(C)C>ClCCl.C1CCC2=NCCCN2CC1>C(C)OC(=O)C1=C(C=CC=C1)C=1N(C(C(N1)=O)(C)C(C)C)C(NCC)=O | 3 |
COC1=C(C(=CC=C1)OC)OC>BrN1C(CCC1=O)=O.C(Cl)(Cl)(Cl)Cl>BrC1=C(C(=C(C=C1)OC)OC)OC | 3 |
BrC1=CC(=C(NC2=NC=NC3=CC(=C(C=C23)OC)OCC2CCN(CC2)C(=O)OC(C)(C)C)C(=C1)F)F>>BrC1=CC(=C(NC2=NC=NC3=CC(=C(C=C23)OC)OCC2CCNCC2)C(=C1)F)F | 5 |
C(Cl)(=O)C(Cl)=O.CS(C)=O.[CH3:11][C:12]1([CH3:30])[CH2:20][CH2:19][C:18]([CH3:22])([CH3:21])[C:17]2[CH2:16][C:15]([CH2:28][OH:29])([CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[CH2:14][C:13]1=2.C(N(CC)CC)C>C(Cl)Cl>[CH3:21][C:18]1([CH3:22])[CH2:19][CH2:20][C:12]([CH3:11])([CH3:30])[C:13]2[CH2:14][C:15]([CH2:23][CH2:24][CH2:... | 1 |
BrCC(=O)Br.FC1=C(N)C=CC(=C1)F>ClCCl.CCN(CC)CC>BrCC(=O)NC1=C(C=C(C=C1)F)F | 3 |
[OH-].[Na+].[CH3:3][O:4][C:5]1[CH:10]=[CH:9][C:8]([C:11]2[C:19]3[C:18]([O:20][CH2:21][C:22]4([CH2:26][OH:27])[CH2:25][CH2:24][CH2:23]4)=[N:17][CH:16]=[N:15][C:14]=3[O:13][C:12]=2[C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)=[CH:7][CH:6]=1.[C:34]([O:38][C:39](=[O:42])[CH2:40]Br)([CH3:37])([CH3:36])[CH3:35].Cl>C1(C)C=C... | 1 |
N1CCNCC1.FC(C1=C(CBr)C=CC=C1)(F)F>>FC(C1=C(CN2CCNCC2)C=CC=C1)(F)F | 5 |
C(Cl)(=O)C(Cl)=O.[CH3:7][CH:8]1[CH2:12][CH2:11][CH:10]([CH3:13])[N:9]1[C:14]1[CH:22]=[CH:21][C:17]([C:18]([OH:20])=O)=[CH:16][C:15]=1[N+:23]([O-:25])=[O:24].O[N:27]=[C:28]([C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=1[O:36][CH3:37])[NH2:29].CCN(C(C)C)C(C)C>>[CH3:13][CH:10]1[CH2:11][CH2:12][CH:8]([CH3:7])[N:9]1[C:14]1[C... | 1 |
[C:1]1([CH:7]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[N:8]2[CH2:11][CH:10](OS(C)(=O)=O)[CH2:9]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:23][CH:24]1[CH2:29][CH2:28][CH2:27][CH:26]([CH3:30])[NH:25]1>C(=O)(O)[O-].[Na+]>[C:1]1([CH:7]([C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[N:8]2[CH2:11][CH:10]([N:25]3[CH:26... | 1 |
[Cl:1][C:2]1[C:3]([F:14])=[C:4]([CH:11]=[CH:12][CH:13]=1)[C:5](N(OC)C)=[O:6].Br[Mg][C:17]1[CH:22]=[CH:21][C:20]([O:23][CH3:24])=[C:19]([Cl:25])[CH:18]=1>>[Cl:1][C:2]1[C:3]([F:14])=[C:4]([C:5]([C:17]2[CH:22]=[CH:21][C:20]([O:23][CH3:24])=[C:19]([Cl:25])[CH:18]=2)=[O:6])[CH:11]=[CH:12][CH:13]=1 | 2 |
CN(C=O)C.[OH:6][C:7]1[CH:19]=[CH:18][C:10]2[C:11]([C:14]([F:17])([F:16])[F:15])=[N:12][O:13][C:9]=2[C:8]=1[CH2:20][CH2:21][CH3:22].[Br:23][CH2:24][CH2:25][CH2:26]Br.C(=O)([O-])[O-].[Cs+].[Cs+]>C(OCC)(=O)C.CCOCC>[CH2:20]([C:8]1[C:9]2[O:13][N:12]=[C:11]([C:14]([F:17])([F:16])[F:15])[C:10]=2[CH:18]=[CH:19][C:7]=1[O:6][CH2... | 1 |
NCCC[C@@H](C(=O)O)NC(=O)C=1SC(=CC1)C(C1=CC=CC=C1)C1=CC=CC=C1.C(=O)(C(F)(F)F)O.O/N=C(\C)/OCC>CO[H].CCN(CC)CC>C1(=CC=CC=C1)C(C1=CC=C(S1)C(=O)N[C@H](C(=O)O)CCCN=C(C)NO)C1=CC=CC=C1.C(=O)(C(F)(F)F)O | 3 |
[CH2:1]([O:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]2(O)[CH2:21][CH2:20][C:15]3([O:19][CH2:18][CH2:17][O:16]3)[CH2:14][CH2:13]2)=[C:8]([F:23])[C:7]=1[F:24])[CH2:2][CH2:3][CH3:4].C1(C)C=CC(S(O)(=O)=O)=CC=1>C1(C)C=CC=CC=1>[CH2:1]([O:5][C:6]1[CH:11]=[CH:10][C:9]([CH:12]2[CH2:21][CH2:20][C:15]3([O:16][CH2:17][CH2:18][O:19]3)[CH2... | 1 |
C(C)OC(NC(CC1=CC(=CC=C1)OC)C1=CC(=C(C=C1)O)OC)=O>Cl.CC(=O)C>C(C)OC(=O)N1C(C2=CC(=C(C=C2C=C1)O)OC)CC1=CC(=CC=C1)OC | 3 |
FC(C1=CC=C(C(=O)NC(C(=O)O)C)C=C1)(F)F>N(C)(C)C=O.CCN(CC)CC.C(C(=O)Cl)(=O)Cl>COC(=O)C1=C(N=C(O1)C1=CC=C(C=C1)C(F)(F)F)C | 3 |
[Br:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[C:4]([CH2:9][CH3:10])[CH:3]=1.[C:11]([O-:14])(=O)[CH3:12].[K+].C(OC(=O)C)(=O)C.C1OCCOCCOCCOCCOCCOC1.C(O[N:46]=O)(C)(C)C>C(Cl)(Cl)Cl>[C:11]([N:6]1[C:5]2[C:4](=[CH:3][C:2]([Br:1])=[CH:8][CH:7]=2)[C:9]([CH3:10])=[N:46]1)(=[O:14])[CH3:12] | 1 |
C(C)(C)(C)NS(=O)(=O)C1=C(C=CC=C1)NS(=O)(=O)C.BrC=1C=CC(=C(O[Si](C)(C)C(C)(C)C)C1)CBr>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>BrC1=CC(=C(C=C1)CCS(=O)(=O)NC1=C(C=CC=C1)S(=O)(=O)NC(C)(C)C)O[Si](C)(C)C(C)(C)C | 3 |
[C:1]([O:5][C:6]([NH:8][C@@H:9]([C:14](=O)[CH3:15])[C:10]([O:12]C)=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH:17]1([NH:21][NH:22][CH3:23])[CH2:20][CH2:19][CH2:18]1.C([O-])(=O)C.[Na+]>CCOC(C)=O.O>[CH:17]1([N:21]2[C:10](=[O:12])[C:9]([NH:8][C:6](=[O:7])[O:5][C:1]([CH3:2])([CH3:3])[CH3:4])=[C:14]([CH3:15])[N:22]2[CH3:23])[CH2... | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([OH:39])[CH2:13][CH2:12][N:11]([CH2:14][CH2:15][CH:16]=[C:17]3[C:23]4[CH:24]=[CH:25][CH:26]=[CH:27][C:22]=4[C:21](=[O:28])[N:20]([CH2:29][C:30]([O:32]CC)=[O:31])[C:19]4[CH:35]=[CH:36][CH:37]=[CH:38][C:18]3=4)[CH2:10][CH2:9]2)=[CH:4][CH:3]=1.[OH-].[Na+].C(OCC)(=O)C>Cl.C(OCC)C>[C:30]... | 1 |
[CH3:1][C:2]([NH:4][C:5]1[C:14]2[CH2:13][N:12](C(OC(C)(C)C)=O)[CH2:11][CH2:10][C:9]=2[N:8]=[C:7]2[CH:22]=[CH:23][CH:24]=[CH:25][C:6]=12)=[O:3].[ClH:26].O1CCOCC1>O1CCOCC1.CO>[ClH:26].[ClH:26].[C:2]([NH:4][C:5]1[C:14]2[CH2:13][NH:12][CH2:11][CH2:10][C:9]=2[N:8]=[C:7]2[CH:22]=[CH:23][CH:24]=[CH:25][C:6]=12)(=[O:3])[CH3:1] | 1 |
C(CCC)OCCOC1=CC=C(C=C1)C=1C=CC2=C(C=C(CCN2CC(C)C)C(=O)NC2=CC=C(C=C2)SCC=2OC(=NN2)C)C1>>C(CCC)OCCOC1=CC=C(C=C1)C=1C=CC2=C(C=C(CCN2CC(C)C)C(=O)NC2=CC=C(C=C2)S(=O)CC=2OC(=NN2)C)C1 | 5 |
FC1=C(C=O)C(=CC=C1)F.O=C(C)C(CCCCC)P(OCC)(OCC)=O>ClCCl.C1CCC2=NCCCN2CC1>FC1=C(\C=C(\C(C)=O)/CCCCC)C(=CC=C1)F | 3 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC=C(C=C1)N.C1(=CC=CC=C1)C=1OC(=C(N1)C(=O)O)C(F)(F)F>>C(C)(C)(C)OC(=O)N1C(CNCC1)C1=NC=C(C=C1)NC(=O)C=1N=C(OC1C(F)(F)F)C1=CC=CC=C1 | 5 |
ClC1=NC=CC(=N1)NC1=C(C(=NN1)C)C.CC=1C=C(C=C(C1)S(=O)(=O)C(C)C)N>>CC1=NNC(=C1C)NC1=NC(=NC=C1)NC1=CC(=CC(=C1)S(=O)(=O)C(C)C)C | 5 |
BrC1=NC=CC=C1.ClC1=C(C=CC(=C1)Cl)B(O)O>C1(=CC=CC=C1)C.O.C([O-])([O-])=O.[K+].[K+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>ClC1=C(C=CC(=C1)Cl)C1=NC=CC=C1 | 3 |
[NH:1]1[C:10]2[C:5](=[CH:6][C:7]3[CH2:15][CH2:14][N:13]([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[CH2:12][CH2:11][C:8]=3[CH:9]=2)[CH2:4][CH2:3][CH2:2]1.N1C=CC=CC=1.[Cl:29][C:30](Cl)([O:32]C(=O)OC(Cl)(Cl)Cl)Cl>ClCCl>[Cl:29][C:30]([N:1]1[C:10]2[C:5](=[CH:6][C:7]3[CH2:15][CH2:14][N:13]([C:16]([O:18][C:19]([... | 1 |
C1(CC1)N1C(N(C(C2=CC(=CC=C12)[N+](=O)[O-])=O)CC)=O>>NC=1C=C2C(N(C(N(C2=CC1)CC)=O)C1CC1)=O | 5 |
[CH2:1]([N:8]([CH:12]([CH3:17])[CH2:13][C:14]([OH:16])=[O:15])[CH2:9][C:10]#[N:11])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.S(=O)(=O)(O)O>C(O)CCC>[CH2:1]([O:15][C:14](=[O:16])[CH2:13][CH:12]([N:8]([CH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1)[CH2:9][C:10]#[N:11])[CH3:17])[CH2:2][CH2:3][CH3:4] | 1 |
C(C1=CC=CC=C1)OC=1C=C(C=O)C=CC1.C(=O)(OCC)CC=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>>C(C1=CC=CC=C1)OC=1C=C(C=CC1)/C=C(/C(=O)OCC)\C | 5 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([F:21])=[C:6]([C@:8]2([CH2:19][F:20])[CH2:13][C@@H:12]([C:14]([F:17])([F:16])[F:15])[O:11][C:10]([NH2:18])=[N:9]2)[CH:7]=1.CCN(CC)CC.[CH3:29][O:30][C:31]1[CH:36]=[CH:35][C:34]([C:37](Cl)([C:44]2[CH:49]=[CH:48][C:47]([O:50][CH3:51])=[CH:46][CH:45]=2)[C:38]2[CH:43]=[CH:42][CH:41]=[CH:40][CH... | 2 |
Br[C:2]1[C:3]([CH2:18][C:19]2[CH:24]=[CH:23][C:22]([Cl:25])=[C:21]([Cl:26])[CH:20]=2)=[C:4]([C:13]([O:15][CH2:16][CH3:17])=[O:14])[S:5][C:6]=1[N:7]1[CH2:12][CH2:11][O:10][CH2:9][CH2:8]1.[CH3:27][CH:28]([C:30]1[CH:35]=[C:34](C(C)C)[C:33](C2C=CC=CC=2P(C2CCCCC2)C2CCCCC2)=[C:32](C(C)C)[CH:31]=1)C.C1(C#C)C=CC=CC=1.CN(C=O)C>... | 1 |
NC=1C=NC=CC1.BrC1=CC(=C(C(=O)O)C=C1CN1CCOCC1)OCC1=CC=CC=C1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>BrC1=CC(=C(C(=O)NC=2C=NC=CC2)C=C1CN1CCOCC1)OCC1=CC=CC=C1 | 3 |
COC1=C(C=O)C=C(C(=C1)SCCCCC)OC>C(C)(=O)[O-].[NH4+].[N+](=O)([O-])CC>COC1=C(C=C(C(=C1)\C=C(/C)\[N+](=O)[O-])OC)SCCCCC | 3 |
COC=1C(=CC(=C(C1)CN)C)[N+](=O)[O-]>O.ClCCl.C(=O)(C(F)(F)F)OC(=O)C(F)(F)F.CCN(CC)CC>FC(C(=O)NCC1=C(C=C(C(=C1)OC)[N+](=O)[O-])C)(F)F | 3 |
[F:1][C:2]1[CH:3]=[CH:4][C:5]2[N:6]([C:8]([C:11]([O:13]CC)=O)=[N:9][N:10]=2)[CH:7]=1.O[Li].O.Cl.Cl.[F:21][C:22]([F:36])([F:35])[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=1[CH:29]1[CH2:34][CH2:33][NH:32][CH2:31][CH2:30]1.F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)C)C2C=CC=CC=2N=N1.CCN(C(C)C)C(C)C>C1COCC1.O.CN(C=O)C>[... | 2 |
[Si](C)(C)(C(C)(C)C)OC1(CC1)CO[C@@H]1CC[C@H](CC1)N1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=C(N2)C>[N+](O[H])([H])([H])[H].[Cl-].CS(=O)C.C(O)([O-])=O.[Na+]>OC1(CC1)CO[C@@H]1CC[C@H](CC1)N1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(N1)=O)CCC)N=C(N2)C | 3 |
FC1=C(C(=O)O)C=CC=C1F>IN1C(CCC1=O)=O.S([O-])(O)=O.[Na+].FC(S(=O)(=O)O)(F)F>FC1=C(C(=O)O)C=C(C=C1F)I | 3 |
[CH2:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([CH:15]([NH:49][C:50]2[CH:55]=[CH:54][C:53]([F:56])=[CH:52][CH:51]=2)[C@H:16]([CH2:31][CH2:32][CH:33]([O:41][Si:42]([C:45]([CH3:48])([CH3:47])[CH3:46])([CH3:44])[CH3:43])[C:34]2[CH:39]=[CH:38][C:37]([F:40])=[CH:36][CH:35]=2)[C:17](N2[C@@H](C3C=CC=CC=3)COC2=O)=[O:18])=[C:11]([F:5... | 2 |
Cl[C:2]1[CH:22]=[CH:21][C:5]([C:6]([NH:8][CH2:9][C:10]2[C:11]([CH2:16][NH:17][C:18](=[O:20])[O-:19])=[N:12][CH:13]=[CH:14][CH:15]=2)=[O:7])=[C:4]([NH:23][CH2:24][CH2:25][C:26]2[CH:31]=[CH:30][CH:29]=[C:28]([F:32])[CH:27]=2)[N:3]=1.C([O-])([O-])=O.[K+].[K+].[C:39]1(B(O)O)[CH2:43][CH2:42][CH2:41][CH:40]=1>C1C=CC([P]([Pd]... | 1 |
C(OC([NH:8][C@@H:9]([C:20]1[CH:25]=[CH:24][C:23]([C:26]2[CH:31]=[CH:30][CH:29]=[C:28]([O:32][CH3:33])[CH:27]=2)=[CH:22][CH:21]=1)[C:10]([O:12][CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)=[O:11])=O)(C)(C)C.[ClH:34]>O1CCOCC1>[ClH:34].[NH2:8][C@@H:9]([C:20]1[CH:25]=[CH:24][C:23]([C:26]2[CH:31]=[CH:30][CH:29]=[C... | 2 |
C(CO)O.BrC1=CC(=C(C=O)C=C1OC)OC>C1=CC=CC=C1.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>BrC1=CC(=C(C=C1OC)C1OCCO1)OC | 3 |
[C:1]([O:5][C:6]([N:8]([C:43]1[CH:48]=[CH:47][C:46]([O:49][CH2:50][CH3:51])=[CH:45][CH:44]=1)[C:9]1[N:14]2[N:15]=[CH:16][CH:17]=[C:13]2[N:12]=[C:11]([NH:18][C@H:19]2[CH2:24][CH2:23][CH2:22][N:21]([C:25]([O:27][C:28]([CH3:31])([CH3:30])[CH3:29])=[O:26])[CH2:20]2)[C:10]=1[CH2:32][CH2:33][CH2:34][O:35][Si](C(C)(C)C)(C)C)=... | 1 |
C(C1=CC=CC=C1)OC=1C=CC(=NC1)N>BrBr.C(C)(=O)O>C(C1=CC=CC=C1)OC=1C=C(C(=NC1)N)Br | 3 |
[CH2:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[C:13]([CH2:14][OH:15])=[C:12]([C:16]([F:22])([F:21])[C:17]([F:20])([F:19])[F:18])[S:11][N:10]=2)=[CH:5][CH:4]=1)[CH3:2].[CH3:23][S:24](Cl)(=[O:26])=[O:25].C(N(CC)CC)C>ClCCl>[CH3:23][S:24]([O:15][CH2:14][C:13]1[C:9]([C:6]2[CH:5]=[CH:4][C:3]([CH2:1][CH3:2])=[CH:8][CH:7]=2)=[N:10][S... | 1 |
ClC=1C=C2CC(NC2=CC1)=O.O[C@H](CN1C(C2=C(CCC1)NC(=C2C)C=O)=O)CN2CCOCC2>CCO[H].N1CCCCC1>ClC=1C=C2/C(/C(NC2=CC1)=O)=C/C1=C(C=2C(N(CCCC2N1)C[C@H](CN1CCOCC1)O)=O)C | 3 |
Br[CH2:2][C:3]1[S:12][C:6]2[N:7]=[CH:8][N:9]=[C:10]([NH2:11])[C:5]=2[C:4]=1[C:13]1[CH:18]=[CH:17][C:16]([N+:19]([O-:21])=[O:20])=[CH:15][CH:14]=1.[CH3:22][N:23]1[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]1>CN(C=O)C>[CH3:22][N:23]1[CH2:28][CH2:27][N:26]([CH2:2][C:3]2[S:12][C:6]3[N:7]=[CH:8][N:9]=[C:10]([NH2:11])[C:5]=3[C:4]... | 1 |
C(CC)C1=NN(C=C1CCCO)C1=NC=C(C=C1)C(F)(F)F.FC1=C(C=C(C=C1)CC(=O)OC)O>>FC1=C(C=C(C=C1)CC(=O)O)OCCCC=1C(=NN(C1)C1=NC=C(C=C1)C(F)(F)F)CCC | 5 |
C[O-].[Na+].BrC1C=C(F)C=C(Br)C=1OC1C=CC([N+]([O-])=O)=CC=1.C(=O)=O.CC(C)=O.[Br:30][C:31]1[CH:36]=[C:35]([O:37]C)[CH:34]=[C:33]([Br:39])[C:32]=1[O:40][C:41]1[CH:46]=[CH:45][C:44]([N+:47]([O-:49])=[O:48])=[CH:43][CH:42]=1>CN(C)C=O.ClCCl.O>[Br:30][C:31]1[CH:36]=[C:35]([OH:37])[CH:34]=[C:33]([Br:39])[C:32]=1[O:40][C:41]1[C... | 2 |
BrC1NC(=C(N1CC#CC)C(=O)OC)C(=O)OC>>BrC1=NC(=C(N1CC#CC)C(=O)OC)C=O | 5 |
CC1=CC=C(CC2(CN(CCC2)C(=O)OC(C)(C)C)C(=O)OCC)C=C1>>OCC1(CN(CCC1)C(=O)OC(C)(C)C)CC1=CC=C(C=C1)C | 5 |
C=C[Mg]Br.C1(CC1)C=1C=CC(=NC1C(N(C)OC)=O)CNC(OC(C)(C)C)=O>C1CCCO1.Cl>C(C=C)(=O)C1=C(C=CC(=N1)CNC(OC(C)(C)C)=O)C1CC1 | 3 |
C1(=CC=C(C=C1)C[C@H](C[C@@H](C)C(=O)OCC)NC(C=1C=C(C(=O)O)C=CC1)=O)C1=CC=CC=C1>CCO[H].[OH-].[Na+]>C1(=CC=C(C=C1)C[C@H](C[C@@H](C)C(=O)O)NC(C=1C=C(C(=O)O)C=CC1)=O)C1=CC=CC=C1 | 3 |
Cl.ClC1=CC=C2CCN(C2=C1)C1=NC=NC2=CC(=CC=C12)[N+](=O)[O-]>CCO[H].C(=O)[O-].[NH4+]>Cl.ClC1=CC=C2CCN(C2=C1)C1=NC=NC2=CC(=CC=C12)N | 3 |
[BH4-].[Na+].[C:3]1([S:9]([C:12]2[CH:19]=[CH:18][C:15]([CH:16]=[O:17])=[CH:14][CH:13]=2)(=[O:11])=[O:10])[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.O1CCCC1>C(OCC)(=O)C>[C:3]1([S:9]([C:12]2[CH:13]=[CH:14][C:15]([CH2:16][OH:17])=[CH:18][CH:19]=2)(=[O:10])=[O:11])[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1 | 1 |
C1COCCN1.BrCC(C(=O)OC)=C>>COC(C(=C)CN1CCOCC1)=O | 5 |
CC=1N(C2=CC=C(C(=C2C1)C(F)(F)F)C#N)C(CSC)C>O.CO[H].S(=O)(=O)(O[O-])[O-].[K+].[K+]>CC=1N(C2=CC=C(C(=C2C1)C(F)(F)F)C#N)C(CS(=O)(=O)C)C | 3 |
COC(=O)C=1N=C(SC1)NC([C@H]([C@@H](C)C1=CC=CC=C1)NC([C@@H](C1=CC2=C(OCCO2)C=C1)N)=O)=O>>COC(=O)C=1N=C(SC1)NC([C@H]([C@@H](C)C1=CC=CC=C1)N1C(N[C@@H](C1=O)C1=CC2=C(OCCO2)C=C1)=O)=O | 5 |
FC(F)(F)S(OC1CC[C@@H](N2[C@@H](C3C=CC=CC=3)C(C)(C)OC2=O)CC=1)(=O)=O.FC(F)(F)S(OC1CC[C@H](N2[C@@H](C3C=CC=CC=3)C(C)(C)OC2=O)CC=1)(=O)=O.BrC1C=C(B(O)O)C(F)=NC=1.C(=O)([O-])[O-].[Na+].[Na+].[Br:74][C:75]1[CH:76]=[C:77]([C:82]2[CH2:87][CH2:86][C@@H:85]([N:88]3[C@@H:92]([C:93]4[CH:98]=[CH:97][CH:96]=[CH:95][CH:94]=4)[C:91](... | 2 |
C(C)(C)O.CC=1OC(=NN1)C1=C(C=CC=C1)[N+](=O)[O-]>O.[Fe].[Cl-].[NH4+]>CC=1OC(=NN1)C1=C(C=CC=C1)N | 3 |
[Cl:1][C:2]([Cl:15])([Cl:14])[CH2:3][C:4]([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)([OH:7])[CH2:5][OH:6].C(N(CC)CC)C.[CH3:23][S:24](Cl)(=[O:26])=[O:25]>C(Cl)Cl>[CH3:23][S:24]([O:6][CH2:5][C:4]([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)([OH:7])[CH2:3][C:2]([Cl:14])([Cl:15])[Cl:1])(=[O:26])=[O:25] | 1 |
COC[O:4][CH2:5][CH:6]1[CH:11]([N:12]2[C:20](=[O:21])[C:19]3[C:14](=[CH:15][CH:16]=[CH:17][CH:18]=3)[C:13]2=[O:22])[CH2:10][CH:9]2[CH2:23][CH:7]1[C:8]2([CH3:25])[CH3:24]>Cl.CO>[OH:4][CH2:5][CH:6]1[CH:11]([N:12]2[C:13](=[O:22])[C:14]3[C:19](=[CH:18][CH:17]=[CH:16][CH:15]=3)[C:20]2=[O:21])[CH2:10][CH:9]2[CH2:23][CH:7]1[C:... | 1 |
C[Si](C)(C)C=[N+]=[N-].C(C1=CC=CC=C1)OC[C@H](C(=O)O)Br>C1CCCO1.CO[H].C(C)(=O)O>C(C1=CC=CC=C1)OC[C@H](C(=O)OC)Br | 3 |
C(C)(C)(C)OC(=O)N1C(CC(C1)N=[N+]=[N-])COC>>C(C)(C)(C)OC(=O)N1C(CC(C1)N)COC | 5 |
[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3]1.CC([O-])(C)C.[K+].[SiH:17]([CH2:22][CH3:23])([CH2:20][CH3:21])[CH2:18][CH3:19]>O1CCCC1>[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[C:3]1[Si:17]([CH2:22][CH3:23])([CH2:20][CH3:21])[CH2:18][CH3:19] | 1 |
C1(=CC=CC=C1)CCCN.O=C1COC2=C(N1CCN1CCC(CC1)C1=C(C(=O)O)C=CC=C1)C=CC=C2>>O=C1COC2=C(N1CCN1CCC(CC1)C1(C(=O)NCCCC3=CC=CC=C3)CC=CC=C1)C=CC=C2 | 5 |
[CH2:1]([O:3][C:4]([C:6]1[S:7][C:8]2[CH:16]=[CH:15][C:14]([Br:17])=[CH:13][C:9]=2[NH:10][C:11]=1O)=[O:5])[CH3:2]>C(O)(=O)C.[Zn]>[CH2:1]([O:3][C:4](=[O:5])[CH2:6][C:11]1[S:7][C:8]2[CH:16]=[CH:15][C:14]([Br:17])=[CH:13][C:9]=2[N:10]=1)[CH3:2] | 1 |
C(C)(C)(C)OC(=O)N1CC2(C(CN2)(F)F)CC1>Cl.Cl>FC1(CNC12CNCC2)F | 3 |
C(C1=CC=CC=C1)OC=1C=C(C=CC1)B(O)O.OC1=CC(=C(C=O)C(=C1)C)OCOC>>C(C1=CC=CC=C1)OC=1C=C(OC2=CC(=C(C=O)C(=C2)C)OCOC)C=CC1 | 5 |
[O:1]1[CH2:6][C:5](=[O:7])[NH:4][C:3]2[N:8]=[CH:9][CH:10]=[CH:11][C:2]1=2.[Br:12]N1C(=O)CCC1=O.O>CN(C=O)C>[Br:12][C:10]1[CH:9]=[N:8][C:3]2[NH:4][C:5](=[O:7])[CH2:6][O:1][C:2]=2[CH:11]=1 | 2 |
[C:1]1([C:7]2[S:11][CH:10]=[C:9]([C:12]([OH:14])=O)[CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl.[F:16][C:17]1([F:24])[CH2:23][CH2:22][CH2:21][NH:20][CH2:19][CH2:18]1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>C(#N)C>[F:16][C:17]1([F:24])[CH2:23][CH2:22][CH2:21][N:20]([C:12]([C:9]2[CH:8]=[C:7]([C:1]3[CH:2]... | 1 |
Cl.Cl[CH2:3][CH2:4][NH2:5].CC(C)([O-])C.[K+].[CH3:12][N:13]([CH2:15][C:16]1[O:20][C:19]([CH2:21][OH:22])=[CH:18][CH:17]=1)[CH3:14]>CN(C)C=O>[CH3:14][N:13]([CH2:15][C:16]1[O:20][C:19]([CH2:21][O:22][CH2:3][CH2:4][NH2:5])=[CH:18][CH:17]=1)[CH3:12] | 1 |
[NH2:1][C@H:2]([C:10]([OH:12])=[O:11])[CH2:3][CH2:4][CH2:5][NH:6][C:7](=[NH:9])[NH2:8].[CH:13]([OH:16])(C)[CH3:14].[CH2:17]([O:35][CH2:36][CH:37]1O[CH2:38]1)[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]CC.[ClH:40]>O>[ClH:40].[OH:16][CH:13]([CH:1... | 1 |
[CH3:1][O:2][CH:3]([C:7]1[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1)[CH2:4][CH2:5]Cl.[CH3:13][CH:14]([CH3:30])[C:15]([NH:17][C:18]1[CH:23]=[CH:22][CH:21]=[C:20]([CH:24]2[CH2:29][CH2:28][NH:27][CH2:26][CH2:25]2)[CH:19]=1)=[O:16].C(N(C(C)C)CC)(C)C.N>[I-].C([N+](CCCC)(CCCC)CCCC)CCC.O1CCOCC1.C(Cl)(Cl)Cl>[CH3:1][O:2][CH:3]([C:7]... | 1 |
ClC=1C=C(O[C@@H]2C([C@H](C2(C)C)NC(=O)C2=CC=C(OCCCCCOCCCNC(OC(C)(C)C)=O)C=C2)(C)C)C=CC1C#N>>NCCCOCCCCCOC1=CC=C(C(=O)N[C@@H]2C([C@H](C2(C)C)OC2=CC(=C(C=C2)C#N)Cl)(C)C)C=C1 | 5 |
ClC=1C(=NC=CN1)C(C=1C(=C(C(=C(C1)CO)N1C[C@H](O[C@H](C1)C)C)F)F)=NO>CC#N.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>ClC=1C(=NC=CN1)C1=NOC2=C1C=C(C(=C2F)N2C[C@H](O[C@H](C2)C)C)CO | 3 |
[CH2:1]([C@H:3]1[C@@H:7]([C:8]2[N:12]3[C:13]4[CH:19]=[CH:18][N:17]([S:20]([C:23]5[CH:29]=[CH:28][C:26]([CH3:27])=[CH:25][CH:24]=5)(=[O:22])=[O:21])[C:14]=4[N:15]=[CH:16][C:11]3=[N:10][N:9]=2)[CH2:6][C@@H:5]([NH2:30])[CH2:4]1)[CH3:2].[CH3:31][O:32][C:33]1[C:34](=O)[C:35](=[O:39])[C:36]=1[O:37]C.CCN(C(C)C)C(C)C>CO>[CH2:1... | 1 |
C1(=CC=CC=C1)B(O)O.ClC=1C=C(C#N)C=C(C1)OC1=C(N=CN(C1=O)CC1=C(N=NC(=C1)Cl)OC)C(F)(F)F>O.O1CCOCC1.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>ClC=1C=C(C#N)C=C(C1)OC1=C(N=CN(C1=O)CC1=C(N=NC(=C1)C1=CC=CC=C1)OC)C(F)(F)F | 3 |
NC1=C(C(=NN1)Br)C(=O)OCC.C1(CCCCC1)C1=CC=C(C=C1)C(CC(=O)OCC)=O>O.C1(=CC=C(C=C1)S(=O)(=O)O)C.C(CCC)O>BrC1=NN2C(NC(=CC2=O)C2=CC=C(C=C2)C2CCCCC2)=C1C(=O)OCC | 3 |
ClCC1=CC=C(OCC2=NC3=CC=CC=C3C=C2)C=C1.C(=O)(OCC)C=1OC2=CC(=CC(=C2C(C1C1=CC=C(C=C1)OC)=O)O)O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>C(=O)(OCC)C=1OC2=C(C(C1C1=CC=C(C=C1)OC)=O)C(=CC(=C2)OCC2=CC=C(C=C2)OCC2=NC1=CC=CC=C1C=C2)O | 3 |
ClCC(=O)Cl.Cl.CC1=C(C=C(C=N1)N)[N+](=O)[O-]>ClCCl.CN(C)C>CC1=C(C=C(C=N1)NC(C=C)=O)[N+](=O)[O-] | 3 |
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