smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
Cl.[NH2:2][CH:3]1[CH2:11][C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH2:4]1.[Cl:12][C:13]1[CH:18]=[CH:17][C:16]([N+:19]([O-:21])=[O:20])=[C:15]([N+]([O-])=O)[CH:14]=1.CC[O-].[Na+].[Na]>CCO>[Cl:12][C:13]1[CH:18]=[CH:17][C:16]([N+:19]([O-:21])=[O:20])=[C:15]([NH:2][CH:3]2[CH2:11][C:10]3[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=3)... | 1 |
Br[C:2]1[CH:3]=[CH:4][C:5]([N:8]2[CH2:13][CH2:12][NH:11][CH2:10][CH2:9]2)=[N:6][CH:7]=1.N1[C:27]2[C:18](=[CH:19][CH:20]=[C:21]3[C:26]=2N=CC=C3)[CH:17]=CC=1.C(=O)([O-])[O-:29].[Cs+].[Cs+]>C(O)C1C=CC=CC=1.C(Cl)Cl.[Cu]I>[CH2:17]([O:29][C:2]1[CH:3]=[CH:4][C:5]([N:8]2[CH2:13][CH2:12][NH:11][CH2:10][CH2:9]2)=[N:6][CH:7]=1)[C... | 1 |
[CH3:1][O:2][C:3]1[N:8]=[N:7][C:6]([N:9]2[C:13]([C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][N:15]=3)=[CH:12][C:11]([C:20]([OH:22])=O)=[N:10]2)=[CH:5][CH:4]=1.[CH:23]([NH:26][CH3:27])([CH3:25])[CH3:24]>>[CH:23]([N:26]([CH3:27])[C:20]([C:11]1[CH:12]=[C:13]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][N:15]=2)[N:9]([C:6]2[N:7]=[N:8][C... | 2 |
[CH3:1][N:2]1[CH:6]=[C:5](B2OC(C)(C)C(C)(C)O2)[CH:4]=[N:3]1.C(=O)([O-])[O-].[K+].[K+].Br[C:23]1[CH:24]=[CH:25][C:26]([NH2:31])=[N:27][C:28]=1[O:29][CH3:30].O>O1CCOCC1.C(Cl)Cl.CO>[CH3:30][O:29][C:28]1[N:27]=[C:26]([NH2:31])[CH:25]=[CH:24][C:23]=1[C:5]1[CH:4]=[N:3][N:2]([CH3:1])[CH:6]=1 | 2 |
[CH3:1][N:2]1[C:6](=O)[C@H:5](OS(C)(=O)=O)[CH2:4][C@H:3]1[CH2:13][O:14][C:15]1[CH:16]=[N:17][CH:18]=[CH:19][CH:20]=1.[C-:21]#[N:22].[Na+]>CN(C=O)C.O>[C:21]([C@@H:5]1[CH2:6][N:2]([CH3:1])[C@H:3]([CH2:13][O:14][C:15]2[CH:16]=[N:17][CH:18]=[CH:19][CH:20]=2)[CH2:4]1)#[N:22] | 1 |
C(C)(=O)N1C=NC=C1.C(C1=CC=CC=C1)OC(N[C@@H](/C(=N/O)/N)C)=O>>C(C1=CC=CC=C1)OC(N[C@H](C)C1=NOC(=N1)C)=O | 5 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([OH:8])=[C:4]([CH3:9])[CH:3]=1.Br[C:11]1[CH:12]=[N:13][CH:14]=[N:15][CH:16]=1.C(=O)([O-])[O-].[K+].[K+]>CS(C)=O.[Cu]I>[CH3:9][C:4]1[CH:3]=[C:2]([CH:7]=[CH:6][C:5]=1[O:8][C:11]1[CH:12]=[N:13][CH:14]=[N:15][CH:16]=1)[NH2:1] | 2 |
Cl[C:2]1[N:7]=[CH:6][C:5]([C:8]2[O:12][N:11]=[C:10]([CH3:13])[C:9]=2[C:14]([OH:16])=[O:15])=[CH:4][CH:3]=1.[CH2:17]([O:19][C:20](=[O:37])[CH2:21][C:22]1[CH:27]=[CH:26][C:25](B2OC(C)(C)C(C)(C)O2)=[CH:24][CH:23]=1)[CH3:18]>>[CH2:17]([O:19][C:20]([CH2:21][C:22]1[CH:27]=[CH:26][C:25]([C:2]2[N:7]=[CH:6][C:5]([C:8]3[O:12][N:... | 2 |
C1(CC1)CNN1C(C(=C(C2=CC=CC=C12)O)C1=NS(C2=C(N1)C=CC(=C2[N+](=O)[O-])O)(=O)=O)=O>>NC1=C(C=CC=2NC(=NS(C21)(=O)=O)C=2C(N(C1=CC=CC=C1C2O)NCC2CC2)=O)O | 5 |
CI.COC(CCCCCNC(=O)OCC1=CC=CC=C1)=O>N(C)(C)C=O.[H-].[Na+]>C(C1=CC=CC=C1)OC(=O)N(CCCCCC(=O)OC)C | 3 |
[C:1]1([C:11]2[CH:28]=[CH:27][CH:26]=[CH:25][C:12]=2[CH2:13][N:14]2[CH:19]=[CH:18][CH:17]=[C:16]([C:20]([O:22]C)=[O:21])[C:15]2=[O:24])[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.[OH-].[Na+]>C1COCC1>[C:1]1([C:11]2[CH:28]=[CH:27][CH:26]=[CH:25][C:12]=2[CH2:13][N:14]2[CH:19]=[CH:18][CH:17]=[C:16]([C:2... | 2 |
CN1N=C(C=C1)C(=O)O.CC1=CNC2=NC=C(C=C21)C=2C=C1CCNCC1=C(C2)[C@H]2N(CCC2)C(=O)OC(C)(C)C>O.ClCCl.CCN(CC)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>CN1N=C(C=C1)C(=O)N1CC2=C(C=C(C=C2CC1)C=1C=C2C(=NC1)NC=C2C)[C@H]2N(CCC2)C(=O)OC(C)(C)C | 3 |
BrCCF.C1(CC1)NC1=NC(=NC=C1C(=O)N)NC1=CC=C(C=C1)C1CCNCC1>O.C(=O)(C(F)(F)F)O.C(C)(C)N(C(C)C)CC.CN1C(CCC1)=O>C1(CC1)NC1=NC(=NC=C1C(=O)N)NC1=CC=C(C=C1)C1CCN(CC1)CCF | 3 |
[CH:1]([C:3]1[N:4]([C:8]2[CH:9]=[C:10]([CH:15]=[CH:16][CH:17]=2)[C:11]([O:13][CH3:14])=[O:12])[CH:5]=[CH:6][CH:7]=1)=O.C(O)(=O)[CH2:19][C:20]([OH:22])=[O:21].N1CCCCC1.Cl>O.N1C=CC=CC=1>[C:20](/[CH:19]=[CH:1]/[C:3]1[N:4]([C:8]2[CH:9]=[C:10]([CH:15]=[CH:16][CH:17]=2)[C:11]([O:13][CH3:14])=[O:12])[CH:5]=[CH:6][CH:7]=1)([OH... | 1 |
S(=O)(=O)(O)O.[C:6]([C:8]1[CH:14]=[CH:13][C:12]([C:15]([F:18])([F:17])[F:16])=[CH:11][C:9]=1[NH2:10])#[N:7].[N:19]([O-])=O.[Na+].[NH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>C(O)C.O>[C:6]([C:8]1[CH:14]=[CH:13][C:12]([C:15]([F:16])([F:17])[F:18])=[CH:11][C:9]=1[NH:10][N:19]=[N:23][C:24]1[CH:29]=[CH:28][CH:27]=... | 1 |
[OH:1][CH:2]([CH:12]1[CH2:17][CH2:16][N:15](CC2C=CC=CC=2)[CH2:14][CH2:13]1)[CH2:3][NH:4][C:5](=[O:11])[O:6][C:7]([CH3:10])([CH3:9])[CH3:8]>CCO.[OH-].[OH-].[Pd+2]>[OH:1][CH:2]([CH:12]1[CH2:13][CH2:14][NH:15][CH2:16][CH2:17]1)[CH2:3][NH:4][C:5](=[O:11])[O:6][C:7]([CH3:10])([CH3:9])[CH3:8] | 2 |
[C:1]([C:9]1[CH:10]=[C:11]([C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=2)[C:12]([O:21][S:22]([C:25]2[CH:33]=[CH:32][C:28]([C:29]([OH:31])=[O:30])=[C:27]([OH:34])[CH:26]=2)(=[O:24])=[O:23])=[C:13]([C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[CH:14]=1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:41](N(CCCC)C... | 1 |
FC=1C=C(C=C(C1)F)N1C(=NC=2C1=NC=CC2)C(C)N.ClC1=NC=NC=C1C#N>C(CCC)O.C(C)(C)N(C(C)C)CC>NC1=NC=NC(=C1C#N)NC(C)C1=NC=2C(=NC=CC2)N1C1=CC(=CC(=C1)F)F | 3 |
[N+](=O)([O-])C.COC(=O)C(=C)C=1C=NN2C1CN([C@H](C2)C)C(=O)OC(C)(C)C>>COC(=O)C(CC[N+](=O)[O-])C=1C=NN2C1CN([C@H](C2)C)C(=O)OC(C)(C)C | 5 |
[CH2:1]([N:8]1[C:16]2[C:11](=[CH:12][C:13]([NH:17][C:18]3[N:19]=[N:20][C:21](Cl)=[CH:22][C:23]=3[C:24]([O:26][CH3:27])=[O:25])=[CH:14][CH:15]=2)[CH:10]=[CH:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.O.[CH:30]1(B(O)O)[CH2:32][CH2:31]1.C1(P(C2CCCCC2)C2C=CC=CC=2C2C(OC)=CC=CC=2OC)CCCCC1.P([O-])([O-])([O-])=O.[K+].[K+].[K... | 2 |
C(C)I.CC1(OB(OC1(C)C)C1=CC=C(C=C1)C=1C=NNC1)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)N1N=CC(=C1)C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C | 3 |
BrCC(=O)OC(C)(C)C.FC1=CC=C(CC2=CC(=NN2)C=2N=NN(C2)CC2=CC=C(C=C2)OC)C=C1>>FC1=CC=C(CC2=CC(=NN2CC(=O)OC(C)(C)C)C=2N=NN(C2)CC2=CC=C(C=C2)OC)C=C1 | 5 |
[NH:1]1[CH2:4][CH:3]([CH2:5][N:6]([C@@H:13]2[CH2:15][C@H:14]2[C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[C:7](=[O:12])[C:8]([F:11])([F:10])[F:9])[CH2:2]1.[C:22]([CH:24]=[C:25]1[CH2:28][N:27]([C:29]([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30])[CH2:26]1)#[N:23].C1CCN2C(=NCCC2)CC1>C(#N)C.CCOC(C)=O>[C:22]([CH2:24]... | 2 |
[OH:1][C:2]([CH3:20])([CH3:19])[CH2:3][NH:4][C:5]([C:7]1[C:12]([NH2:13])=[CH:11][C:10]([C:14]([F:17])([F:16])[F:15])=[C:9](Br)[N:8]=1)=[O:6].[F:21][C:22]1[CH:27]=[CH:26][C:25](B(O)O)=[CH:24][CH:23]=1.C([O-])([O-])=O.[Na+].[Na+].CSC1NC(=S)NC(=S)N=1>CCOC(C)=O.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[... | 1 |
ClC1C=C([C:8]2[NH:12][C:11]3[C:13]([F:17])=[CH:14][CH:15]=[CH:16][C:10]=3[N:9]=2)C=CN=1.[O-]P([O-])([O-])=O.[K+].[K+].[K+].O.[F:27][C:28]1[CH:33]=[CH:32][C:31]([C:34]2[O:35][C:36]3[CH:46]=[C:45]([N:47]([CH3:52])[S:48]([CH3:51])(=[O:50])=[O:49])[C:44](B4OC(C)(C)C(C)(C)O4)=[CH:43][C:37]=3[C:38]=2[C:39]([NH:41][CH3:42])=[... | 2 |
OC(CC)C1C(C1)C(=O)OCC>ClCCl.[OH-].[Na+].C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>C(CC)(=O)C1C(C1)C(=O)OCC | 3 |
[O:1]([C:8]1[CH:32]=[CH:31][C:11]([O:12][C:13]2[S:14][C:15]([Sn](CCCC)(CCCC)CCCC)=[CH:16][N:17]=2)=[CH:10][CH:9]=1)[C:2]1[CH:7]=CC=C[CH:3]=1.Br[C:34]1[S:38][C:37]([C:39](=[O:41])[CH3:40])=[CH:36][CH:35]=1>CN(C)C=O.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>[CH:2]([O:1][... | 1 |
[N: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][C:13]1[CH:14]=[C:15]([CH:18]=[CH:19][CH:20]=1)[C:16]#[N:17].[N-:21]=[N+:22]=[N-:23].[Na+].[Cl-].[NH4+].[NH4+].Cl>CN(C)C=O.CO>[N: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][C:13]1[CH:14]=[C:15]([C:16]2[... | 1 |
COC=1C=C(C=C(C1OC)I)C1OCCCO1>N(C)(C)C=O.[Cu+].[C-]#N>C(#N)C=1C(=C(C=C(C1)C1OCCO1)OC)OC | 3 |
[F:1][C:2]1[CH:26]=[CH:25][C:5]([CH2:6][C:7]2[C:16]([OH:17])=[CH:15][CH:14]=[C:13]3[C:8]=2[C:9](=[O:24])[N:10]([CH2:20][CH2:21][CH2:22][OH:23])[C:11](=[O:19])[N:12]3[CH3:18])=[CH:4][CH:3]=1.Br[CH2:28][CH2:29][CH2:30][CH3:31].C([O-])([O-])=O.[K+].[K+].CCCC[N+](CCCC)(CCCC)CCCC.[F-]>CN(C=O)C.O>[CH2:28]([O:17][C:16]1[C:7](... | 2 |
CC1=[N+](C=CC=N1)[O-]>>CC1=NC=CC(=N1)C#N | 5 |
BrCC=CCC.IC1=C(C=CC=C1)O>N(C)(C)C=O.[H-].[Na+]>IC1=C(C=CC=C1)OCC=CCC | 3 |
C(C)(C)(C)[C@H]1CC[C@H](CC1)O.OC=1C=C2C=NC(=NC2=CC1)CN1CCC(CC1)C(=O)OC>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>C(C)(C)(C)[C@@H]1CC[C@H](CC1)OC=1C=C2C=NC(=NC2=CC1)CN1CCC(CC1)C(=O)OC | 3 |
Cl[C:2]1[C:9]([N+:10]([O-:12])=[O:11])=[CH:8][CH:7]=[CH:6][C:3]=1[C:4]#[N:5].[CH2:13]([CH2:15][NH2:16])[OH:14]>C(O)C>[OH:14][CH2:13][CH2:15][NH:16][C:2]1[C:9]([N+:10]([O-:12])=[O:11])=[CH:8][CH:7]=[CH:6][C:3]=1[C:4]#[N:5] | 1 |
[CH3:1][C:2]1[CH:3]=[C:4]([C:13]2[CH:18]=[CH:17][C:16]([OH:19])=[CH:15][CH:14]=2)[CH:5]=[C:6]2[C:11]=1[NH:10][C:9](=[O:12])[CH:8]=[CH:7]2.[CH2:20]([N:23]=[C:24]=[O:25])[CH2:21][CH3:22].CO>C1COCC1>[CH3:1][C:2]1[CH:3]=[C:4]([C:13]2[CH:18]=[CH:17][C:16]([O:19][C:24](=[O:25])[NH:23][CH2:20][CH2:21][CH3:22])=[CH:15][CH:14]=... | 1 |
CC1=CN=C(S1)C=1C=C(C(=O)OC)C=C(C1)O[C@@H]1COCC1>CO[H].[OH-].[Na+]>CC1=CN=C(S1)C=1C=C(C(=O)O)C=C(C1)O[C@@H]1COCC1 | 3 |
C1(=CC=C(C=C1)OC)O[H].BrC=1C=NC(=NC1)Cl>C([O-])([O-])=O.[K+].[K+].C(C)C(=O)C>BrC=1C=NC(=NC1)OC1=CC=C(C=C1)OC | 3 |
COC=1C=NC=2C=CC=C(C2N1)C=O>CC#N.O.[I-].C[S+](C)C>COC1=NC2=C(C=CC=C2N=C1)C1OC1 | 3 |
FC(C1=CC=C(N)C=C1)(F)F.CS(=O)(=O)OC(CCC(C1=CC=C(C=C1)Br)OS(=O)(=O)C)C1=CC=C(C=C1)Br>>BrC1=CC=C(C=C1)[C@@H]1N([C@@H](CC1)C1=CC=C(C=C1)Br)C1=CC=C(C=C1)C(F)(F)F | 5 |
CC(C(=O)O)C(C)SC.ClC1=NN(C=C1NCC)C=1C=NC=C(C1)F>>ClC1=NN(C=C1N(C(C(C(C)SC)C)=O)CC)C=1C=NC=C(C1)F.ClC1=NN(C=C1N(C(\C(=C/C)\C)=O)CC)C=1C=NC=C(C1)F | 5 |
CN1CCNCCC1.C(C)(=O)C1=CC=C(O1)C1=CC=C(C(=O)O)C=C1>>CN1CCN(CCC1)C(=O)C1=CC=C(C=C1)C1=CC=C(O1)C(C)=O | 5 |
[Br:1][C:2]1[C:3]([O:16][C:17]2[CH:22]=[CH:21][C:20]([N+:23]([O-])=O)=[CH:19][C:18]=2[F:26])=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]([C:12](=[O:14])[CH3:13])[C@@H:7]([CH3:15])[CH2:6][CH2:5]2.[Cl-].[NH4+].O1CCCC1.C(O)C>[Fe].O>[NH2:23][C:20]1[CH:21]=[CH:22][C:17]([O:16][C:3]2[C:2]([Br:1])=[CH:11][CH:10]=[C:9]3[C:4]=2[CH2:5][... | 1 |
BrC=1C(=C(C=CC1)C1=NC(=C(C=O)C=C1)OC)Cl>ClCCl.BrN1C(CCC1=O)=O.C(CN)N>BrC=1C(=C(C=CC1)C1=CC=C(C(=N1)OC)C=1NCCN1)Cl | 3 |
Br[C:2]1[CH2:6][CH2:5][CH2:4][C:3]=1[C:7]1[CH:12]=[CH:11][C:10]([S:13]([CH3:16])(=[O:15])=[O:14])=[CH:9][CH:8]=1.[CH3:17][S:18][C:19]1[CH:24]=[CH:23][C:22](B(O)O)=[CH:21][CH:20]=1>>[CH3:17][S:18][C:19]1[CH:24]=[CH:23][C:22]([C:2]2[CH2:6][CH2:5][CH2:4][C:3]=2[C:7]2[CH:12]=[CH:11][C:10]([S:13]([CH3:16])(=[O:15])=[O:14])=... | 1 |
C1(=CC=CC=C1)COC=1C=C2C=C(N(C2=CC1)S(=O)(=O)C1=CC=CC=C1)C=O>S(=O)(=O)(Cl)Cl.ClCCl.C(C)(=O)O>ClC1=C2C=C(N(C2=CC=C1OCC1=CC=CC=C1)S(=O)(=O)C1=CC=CC=C1)C=O | 3 |
Cl.C(C1=CN=CC=C1)(=O)Cl.ClC1=CC(=CC=2N1N=C(N2)N)C(F)(F)F>>ClC1=CC(=CC=2N1N=C(N2)NC(C2=CN=CC=C2)=O)C(F)(F)F | 3 |
ClCCCC(C(=O)NNC(=O)OC(C)(C)C)C1=CC=C(C=C1)F>Cl.C(C)(=O)OCC>Cl.ClCCCC(C(=O)NN)C1=CC=C(C=C1)F | 3 |
C[O:2][C:3](=[O:24])[C:4]1[CH:9]=[CH:8][C:7]([CH2:10][C:11]2[CH:16]=[CH:15][C:14]([CH2:17][N:18]3[CH2:23][CH2:22][O:21][CH2:20][CH2:19]3)=[CH:13][CH:12]=2)=[CH:6][CH:5]=1.O1CCOCC1.Cl>>[N:18]1([CH2:17][C:14]2[CH:15]=[CH:16][C:11]([CH2:10][C:7]3[CH:8]=[CH:9][C:4]([C:3]([OH:24])=[O:2])=[CH:5][CH:6]=3)=[CH:12][CH:13]=2)[CH... | 2 |
P12(SP3(SP(SP(S3)(S1)=S)(=S)S2)=S)=[S:2].[CH:15]1[C:20]2[C:21](=O)[NH:22][C:23]3[CH:29]=[CH:28][CH:27]=[CH:26][C:24]=3[S:25][C:19]=2[CH:18]=[CH:17][CH:16]=1.Cl>N1C=CC=CC=1>[CH:15]1[C:20]2[C:21](=[S:2])[NH:22][C:23]3[CH:29]=[CH:28][CH:27]=[CH:26][C:24]=3[S:25][C:19]=2[CH:18]=[CH:17][CH:16]=1 | 1 |
BrC1=NC=C(C=C1)C>C(C)OCC.BrN1C(CCC1=O)=O.C(C1=CC=CC=C1)(=O)OOC(C1=CC=CC=C1)=O.C(Cl)(Cl)(Cl)Cl>BrC1=NC=C(C=C1)C(Br)Br | 3 |
CO[C:3]([C:5]1[CH:10]=[CH:9][N:8]2[CH:11]=[CH:12][N:13]=[C:7]2[CH:6]=1)=[O:4].[CH3:14][N:15](C)[OH:16].[CH3:18][Al](C)C.CCCCCC>C(Cl)Cl>[CH3:18][O:16][N:15]([CH3:14])[C:3]([C:5]1[CH:10]=[CH:9][N:8]2[CH:11]=[CH:12][N:13]=[C:7]2[CH:6]=1)=[O:4] | 1 |
C(C)(C)(C)OC(=O)N1C(C(CC1)O[Si](C)(C)C(C)(C)C)CO>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>C(C)(C)(C)OC(=O)N1C(C(CC1)O[Si](C)(C)C(C)(C)C)C=O | 3 |
OC[C@]12[C@@H]([C@H]3CC[C@@H]4[C@]5(CC=C(C([C@@H]5CC[C@]4([C@@]3(CC1)C)C)(C)C)C1=CC=C(C(=O)OC)C=C1)C)[C@@H](CC2)C(=C)C>>C(=O)[C@]12[C@@H]([C@H]3CC[C@@H]4[C@]5(CC=C(C([C@@H]5CC[C@]4([C@@]3(CC1)C)C)(C)C)C1=CC=C(C(=O)OC)C=C1)C)[C@@H](CC2)C(=C)C | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl.COC([C@@H](N)CC(=O)OC)=O>ClCCl.CCN(CC)CC>C(C)(C)(C)OC(=O)N[C@H](C(=O)OC)CC(=O)OC | 3 |
CO[C:3](=[O:12])[C:4]1[CH:9]=[C:8](Br)[C:7](Cl)=[N:6][CH:5]=1.[F:13][C:14]([F:18])([F:17])[CH2:15][OH:16].[F:19][C:20]1[CH:25]=[CH:24][C:23](B(O)O)=[CH:22][CH:21]=1.[CH:29]1([C:32]([OH:36])([CH3:35])[CH2:33][NH2:34])[CH2:31][CH2:30]1>>[CH:29]1([C:32]([OH:36])([CH3:35])[CH2:33][NH:34][C:3](=[O:12])[C:4]2[CH:9]=[C:8]([C:... | 1 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]1[NH:8][CH:9]=[CH:10][N:11]=1.I[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.C([O-])([O-])=O.[Cs+].[Cs+]>CN(C=O)C.[Cu]>[C:13]1([N:11]2[CH:10]=[CH:9][N:8]=[C:7]2[C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][N:1]=2)[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1 | 1 |
C(C)(C)(C)OC(N[C@H]1CN(CCC1)C1=C2C(=NC=C1OC)NC=C2NC(=O)C=2C=NN(C2)CC2=CC=CC=C2)=O>ClCCl.C(=O)(C(F)(F)F)O>N[C@H]1CN(CCC1)C1=C2C(=NC=C1OC)NC=C2NC(=O)C=2C=NN(C2)CC2=CC=C(C=C2)F | 3 |
[N+](=O)([O-])C=1C=NNC1.CS(=O)(=O)OC1CCC(CC1)=O>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>[N+](=O)([O-])C=1C=NN(C1)C1CCC(CC1)=O | 3 |
CC1(OC(=CC(O1)=O)C)C.N/C(=C/C#N)/C>>CC=1NC(=CC(C1C#N)=O)C | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=O)[CH:9]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)[CH2:10][C:11](=O)[CH:12]([CH3:14])[CH3:13])=[CH:4][CH:3]=1.[NH2:23][CH2:24][CH2:25][C@H:26]1[O:31][C:30]2([CH2:36][CH2:35][CH2:34][CH2:33][CH2:32]2)[O:29][C@@H:28]([CH2:37][C:38]([O:40][C:41]([C:44]2[CH:49]=[CH:48][CH:47]=[CH:... | 1 |
CS(OC[CH:7]([C:16]1[CH:17]=[N:18][C:19]([NH:22][C:23]([C:25]2([C:28]3[CH:36]=[CH:35][C:31]4[O:32][CH2:33][O:34][C:30]=4[CH:29]=3)[CH2:27][CH2:26]2)=[O:24])=[CH:20][CH:21]=1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[O:14][CH3:15])(=O)=O.C[O:38][CH2:39][CH2:40][N:41]1[CH2:46][CH2:45][NH:44][CH2:43][CH2:42]1.O1C2C=CC(C3... | 1 |
C(C)(C)OC1=C2C[C@H](O[C@H](C2=CC=C1C)CNC=O)C1CCN(CC1)C(C(CC)C1=CC=CC=C1)=O>C(C)OCC.ClCCl.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(C)(C)OC1=C2C[C@H](O[C@H](C2=CC=C1C)CNC)C1CCN(CC1)CC(CC)C1=CC=CC=C1 | 3 |
Cl[C:2]1[N:7]=[C:6]([C:8]2[CH:9]=[C:10]([C:23]3[N:27]([CH2:28][O:29][CH2:30][CH2:31][Si:32]([CH3:35])([CH3:34])[CH3:33])[C:26]4[CH:36]=[CH:37][CH:38]=[CH:39][C:25]=4[N:24]=3)[C:11](=[O:22])[N:12]([CH2:14][O:15][CH2:16][CH2:17][Si:18]([CH3:21])([CH3:20])[CH3:19])[N:13]=2)[CH:5]=[CH:4][N:3]=1.[NH2:40][CH2:41][CH2:42][N:4... | 1 |
CC(OC(/N=N/C(OC(C)C)=O)=O)C.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[CH2:34]([O:36][C:37]([C:39]1[O:40][C:41]2[CH:47]=[CH:46][C:45]([OH:48])=[CH:44][C:42]=2[CH:43]=1)=[O:38])[CH3:35].[F:49][C:50]1([F:59])[CH2:55][CH2:54][N:53]([CH2:56][CH2:57]O)[CH2:52][CH2:51]1>C(Cl)Cl>[CH2:34]([O:36][C:37]([C:39]1[O:40][C:41]2[CH:47]=... | 1 |
B(F)(F)F.CCOCC.[N+:10](=[CH:12][C:13](=[O:18])[C:14](C)(C)[CH3:15])=[N-].C(=O)(O)[O-].[Na+].[Cl:24][CH2:25][C:26]#N>>[Cl:24][CH2:25][C:26]1[O:18][C:13]([CH2:14][CH3:15])=[CH:12][N:10]=1 | 2 |
BrC1=C(C(=CC=C1)Br)C.C[C@H]1N(S(OC1)(=O)=O)C(=O)OC(C)(C)C>C1CCCO1.Cl.C(CCC)[Li].O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].OC(=O)CC(O)(CC(O)=O)C(O)=O>BrC=1C(=C(C=CC1)C[C@@H](C)N)C | 3 |
BrCC(=O)OC.C(C)OC(=O)N1CCNCC1>ClCCl.CCN(CC)CC>C(C)OC(=O)N1CCN(CC1)CC(=O)OC | 3 |
C(=O)([O-])[O-].[K+].[K+].[CH3:7][C:8]1[C:9]([S:20][CH3:21])=[C:10]([CH:16]=[CH:17][C:18]=1[CH3:19])[C:11]([O:13]CC)=[O:12]>O.C(O)C>[CH3:7][C:8]1[C:9]([S:20][CH3:21])=[C:10]([CH:16]=[CH:17][C:18]=1[CH3:19])[C:11]([OH:13])=[O:12] | 1 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC(=CC2=C1CNC2=O)C2=CC(=NC=C2)NC2CCCCC2>ClCCl.C(=O)(C(F)(F)F)O>C1(CCCCC1)NC1=NC=CC(=C1)C1=CC2=C(C(=N1)N1CCNCC1)CNC2=O | 3 |
Cl[C:2]1[N:7]=[N:6][C:5]2[CH2:8][CH2:9][N:10]([C:12](=[O:21])[C:13]3[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:15][CH:14]=3)[CH2:11][C:4]=2[CH:3]=1.O.[NH2:23][NH2:24]>>[NH:23]([C:2]1[N:7]=[N:6][C:5]2[CH2:8][CH2:9][N:10]([C:12](=[O:21])[C:13]3[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:15][CH:14]=3)[CH2:11][C:4]=2[CH:3]=1)... | 1 |
[CH2:1]([O:3][C:4](=[O:25])[C:5]([O:8][C:9]1[CH:14]=[CH:13][C:12]([O:15]CC2C=CC=CC=2)=[CH:11][C:10]=1[CH:23]=[O:24])([CH3:7])[CH3:6])[CH3:2].[H][H]>C(O)C.[Pd]>[CH2:1]([O:3][C:4](=[O:25])[C:5]([O:8][C:9]1[CH:14]=[CH:13][C:12]([OH:15])=[CH:11][C:10]=1[CH2:23][OH:24])([CH3:7])[CH3:6])[CH3:2] | 1 |
CC1(C)C(C)(C)OB([C:9]2[CH:10]=[C:11]3[C:16](=[CH:17][N:18]=2)[N:15]=[CH:14][CH:13]=[C:12]3[N:19]2[CH2:24][CH2:23][CH2:22][C@H:21]([NH:25]C(=O)OC(C)(C)C)[CH2:20]2)O1.[NH2:34][C:35]1[CH:36]=[CH:37][C:38]([C:42]2[CH:43]=[C:44]([CH:51]=[CH:52][C:53]=2[F:54])[C:45]([NH:47][CH:48]([CH3:50])[CH3:49])=[O:46])=[N:39][C:40]=1Cl>... | 1 |
CN.C(C)(C)NC1=NN=CC2=CC(=CC=C12)C=1C=C(C(=O)O)C=CC1C>>C(C)(C)NC1=NN=CC2=CC(=CC=C12)C=1C=C(C(=O)NC)C=CC1C | 5 |
[F:1][C:2]1[CH:9]=[CH:8][C:7](/[CH:10]=[CH:11]/[C:12]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=2[O:20][CH2:21][CH:22]([CH3:24])[CH3:23])=O)=[CH:6][C:3]=1[C:4]#[N:5].N1([CH2:34][C:35]([NH2:37])=[O:36])C2C=CC=CC=2N=N1.[OH-].[Na+].Cl>CCO>[F:1][C:2]1[CH:9]=[CH:8][C:7]([C:10]2[CH:11]=[C:12]([C:14]3[CH:19]=[CH:18][CH:17]=... | 1 |
[N+](=O)([O-])C=1C=NN(C1)CCC(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.N1CCCCC1.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>[N+](=O)([O-])C=1C=NN(C1)CCC(=O)N1CCCCC1 | 3 |
ClC=1C=C(C=O)C=C(C1)Cl>CCO[H].O.NN>ClC=1C=C(C=C(C1)Cl)C=NN | 3 |
FC(C#C)(F)F.C(C)OC1=C(C(=O)OCC)C=CC(=C1)I>C1CCCO1.C(CCC)[Li].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.CCCCCC.CCCC(C)C.CCC(C)CC.[Cl-].[Zn+2].[Cl-]>FC(C#CC1=CC=C(C(=O)OCC)C=C1)(F)F | 3 |
FC1=C(C(=O)Cl)C(=CC=C1)F.NC1=NC(=CC=C1)N>O1CCOCC1>NC1=CC=CC(=N1)NC(C1=C(C=CC=C1F)F)=O | 3 |
[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[NH:10][C:11]([C:13]1[CH:14]=[CH:15][CH:16]=[C:17]2[C:22]=1[CH2:21][N:20]([C:23]1[S:24][C:25]([CH2:33][CH2:34][CH2:35]I)=[C:26]([C:28]([O:30]CC)=[O:29])[N:27]=1)[CH2:19][CH2:18]2)=[O:12].[NH:37]1[CH:41]=[CH:40][N:39]=[CH:38]1.[C:42]1(O)C=CC=CC=1>>[N:37]1([CH2:42]... | 1 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]([CH3:12])[C:10](=[O:13])[CH2:9][N:8]=[C:7]([C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)[C:6]=2[CH:20]=1.[Cl-].[Al+3].[Cl-].[Cl-].[CH2:25]1[O:28][CH:26]1[CH3:27].B(F)(F)F.CCOCC.[OH-].[NH4+]>CCCCCC.C1C=CC=CC=1>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]([CH3:12])[C:10](=[O:13])[CH2:9][N... | 1 |
C(=O)(O)C=1OC(=CC(C1OCC1=CC=CC=C1)=O)C>O.CO[H].Cl.NO>C(C1=CC=CC=C1)OC1=C(N(C(=CC1=O)C)O)C(=O)O | 3 |
[OH:1][C@H:2]1[CH2:7][CH2:6][C@H:5]([C:8]([OH:10])=[O:9])[CH2:4][CH2:3]1.ClC(Cl)(Cl)C(=N)O[C:15]([CH3:18])([CH3:17])[CH3:16]>ClC(Cl)C>[C:15]([O:9][C:8]([CH:5]1[CH2:6][CH2:7][CH:2]([OH:1])[CH2:3][CH2:4]1)=[O:10])([CH3:18])([CH3:17])[CH3:16] | 2 |
N(=C=O)CC(=O)OCC.Cl.Cl.C(C)OC=1C=C2CC(N=C(C2=C2C1OC(C2)(C)C)C=2C=C(C=CC2)N)(C)C>C1CCCO1.CCN(CC)CC>C(C)OC=1C=C2CC(N=C(C2=C2C1OC(C2)(C)C)C=2C=C(C=CC2)N2C(NCC2=O)=O)(C)C | 3 |
[CH3:1][O:2][C:3](=[O:6])[CH:4]=[CH2:5].[NH2:7][CH2:8][CH2:9][CH:10]1[CH2:19][C:18]2[C:13](=[CH:14][CH:15]=[CH:16][CH:17]=2)[O:12][C:11]1([CH3:21])[CH3:20]>CO>[CH3:20][C:11]1([CH3:21])[CH:10]([CH2:9][CH2:8][N:7]([CH2:5][CH2:4][C:3]([O:2][CH3:1])=[O:6])[CH2:5][CH2:4][C:3]([O:2][CH3:1])=[O:6])[CH2:19][C:18]2[C:13](=[CH:1... | 1 |
ClC(=O)OCC1=CC=CC=C1.N[C@@H](CC(C)C)CO>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+]>C(C1=CC=CC=C1)OC(N[C@@H](CC(C)C)CO)=O | 3 |
ClC=1C(=NC=C(C1)C(F)(F)F)OC1=C(C=CC(=C1)OC1=NC=CC=N1)/C=C/C(=O)OCC>>ClC=1C(=NC=C(C1)C(F)(F)F)OC1=C(C=CC(=C1)OC1=NC=CC=N1)/C=C/C(=O)O | 5 |
C(C#C)(=O)OCC.C(C)(C)(C)[SiH2]OC([C@@H]1CN=C(O1)N)(C)C>>C(C)(C)(C)[SiH2]OC([C@@H]1CN2C(=NC(C=C2)=O)O1)(C)C | 5 |
[CH2:1]([CH:3]([C:7]1[CH:21]=[C:20]([O:22][CH3:23])[C:19]([O:24][CH3:25])=[CH:18][C:8]=1[C:9]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=1[Cl:17])=O)[C:4]([CH3:6])=O)[CH3:2].Cl.O.[NH2:28][NH2:29].[OH-].[Na+]>O.CO.C(O)(=O)C>[Cl:17][C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=1[C:9]1[C:8]2[CH:18]=[C:19]([O:24][CH3:25])[C... | 1 |
[Br:1][C:2]1[CH:7]=[C:6]([O:8][CH3:9])[C:5]([O:10][CH:11]([CH3:13])[CH3:12])=[CH:4][C:3]=1[CH:14]([OH:16])[CH3:15].CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O>C(Cl)Cl>[Br:1][C:2]1[CH:7]=[C:6]([O:8][CH3:9])[C:5]([O:10][CH:11]([CH3:13])[CH3:12])=[CH:4][C:3]=1[C:14](=[O:16])[CH3:15] | 1 |
FC=1C=C(C=C(C1)F)B(O)O.FC=1C=NC=CC1I>O.C([O-])([O-])=O.[K+].[K+].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]>FC=1C=C(C=C(C1)F)C1=C(C=NC=C1)F | 3 |
[NH2:1][C@@H:2]([CH:5]1[CH2:10][CH2:9][N:8]([C:11]([O:13][C:14]([CH3:17])([CH3:16])[CH3:15])=[O:12])[CH2:7][CH2:6]1)[CH2:3][OH:4].C(N(CC)CC)C.[Cl:25][C:26]1[S:30][C:29]([S:31](Cl)(=[O:33])=[O:32])=[CH:28][CH:27]=1>C(Cl)Cl>[C:14]([O:13][C:11]([N:8]1[CH2:7][CH2:6][CH:5]([CH:2]([NH:1][S:31]([C:29]2[S:30][C:26]([Cl:25])=[C... | 1 |
Br[C:2]1[CH:3]=[C:4]([CH:32]=[CH:33][CH:34]=1)[CH2:5][O:6][C@H:7]1[CH2:11][CH2:10][N:9]([C:12]([CH3:31])([CH3:30])[CH2:13][CH2:14][C:15]([C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[C:16]#[N:17])[CH2:8]1.[OH:35][C:36]1[CH:37]=[C:38](B(O)O)[CH:39]=[CH:40][CH:41]=1.C(=O)... | 2 |
C[C@@]1(COC2=C(O1)C(=CC=C2)C2=CC=CC=C2)COS(=O)(=O)C2=CC=C(C=C2)C>[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])C[C@]1(COC2=C(O1)C(=CC=C2)C2=CC=CC=C2)C | 3 |
C(C)(=O)OCC1=C(C=C(C(=C1)F)N)N1C=C(C(C2=CC(=C(C(=C12)Br)F)F)=O)C(=O)OCC.Cl.Cl.C(C)NC1CNC1>CC#N.CN(C(N(C)C)=N)C>C(C)(=O)OCC1=C(C=C(C(=C1)F)N)N1C=C(C(C2=CC(=C(C(=C12)Br)N1CC(C1)NCC)F)=O)C(=O)OCC | 3 |
C(C)OC(C(C(C)Br)=O)=O.C(C1=CC=CC=C1)OC1=CC=C(C=C1)NC(C1=C(C=C(C=C1)Cl)Cl)=N>C1CCCO1.C([O-])([O-])=O.[K+].[K+]>C(C)OC(=O)C=1N=C(N(C1C)C1=CC=C(C=C1)OCC1=CC=CC=C1)C1=C(C=C(C=C1)Cl)Cl | 3 |
[F:1][C:2]([F:42])([F:41])[C:3]1[CH:12]=[C:11]2[C:6]([C:7]([S:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][O:19][C:20]3[CH:25]=[CH:24][C:23]([CH2:26][N:27]4[CH2:32][CH2:31][CH2:30][CH2:29][CH2:28]4)=[CH:22][C:21]=3[NH:33]C(=O)OC(C)(C)C)=[CH:8][CH:9]=[N:10]2)=[CH:5][CH:4]=1.Cl>CO>[F:41][C:2]([F:1])([F:42])[C:3]1[CH:12]=[... | 2 |
[C:1]1([NH:7][C:8](=O)[CH:9]=[CH:10][S:11][C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.S(Cl)([Cl:21])=O>CN(C)C=O>[C:1]1([N:7]=[C:8]([Cl:21])[CH:9]=[CH:10][S:11][C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 1 |
C(=O)(OC(C)(C)C)N1CCNCC1.ClCC=1N=C(SC1)C(C)C>ClCCl.C(C)(C)N(C(C)C)CC>C(C)(C)C=1SC=C(N1)CN1CCN(CC1)C(=O)OC(C)(C)C | 3 |
S(=O)(=O)(C1=CC=CC=2C(N(C)C)=CC=CC12)Cl.N(=[N+]=[N-])CCCN>>N(=[N+]=[N-])CCCNS(=O)(=O)C1=CC=CC2=C(C=CC=C12)N(C)C | 5 |
ClC1CCCCC1>[Al](Cl)(Cl)Cl.C1=CC=CC=C1>C1(CCCCC1)C=1C(=C(C=CC1)C1CCCCC1)C1CCCCC1 | 3 |
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