smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)(C)(C)OC(=O)N1C[C@@H]2COC3=C(C(N2CC1)=O)C(=NC(=C3Cl)C3=C(C=CC=C3O)F)N3C(CC(C3)N(C3COC3)C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>ClC1=C(N=C(C=2C(N3[C@@H](COC21)CNCC3)=O)N3C(CC(C3)N(C3COC3)C)(C)C)C3=C(C=CC=C3O)F | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NC1(CCCCC1)C(=O)O.[OH-].C[N+](C)(C)C>CC#N>C(C)(C)(C)OC(=O)NC1(CCCCC1)C(=O)O | 3 |
[CH3:1][C:2]1[C:3]([NH:8][S:9]([C:12]2[C:13]([C:18]3[CH:23]=[CH:22][C:21]([C:24]4[O:25][CH:26]=[CH:27][N:28]=4)=[CH:20][C:19]=3[CH2:29][NH:30][CH3:31])=[CH:14][CH:15]=[CH:16][CH:17]=2)(=[O:11])=[O:10])=[N:4][O:5][C:6]=1[CH3:7].C(N(CC)CC)C.[C:39]([CH2:43][C:44](Cl)=[O:45])([CH3:42])([CH3:41])[CH3:40].OS([O-])(=O)=O.[Na+... | 1 |
BrC1=C(C=C(C=C1)CC(=O)OCC)[N+](=O)[O-]>>[N+](=O)([O-])C1=C(C=CC(=C1)CC(=O)OCC)C1=CC=CC=C1 | 5 |
[Cl:1][CH2:2][C:3]([NH:5][C:6]1[CH:11]=[C:10]([C:12]2S[CH:14]=[CH:15][N:16]=2)[N:9]=[C:8]([C:17]2[O:18][C:19]([CH3:22])=[CH:20][CH:21]=2)[N:7]=1)=[O:4].O=[C:24](C1C=CC=CN=1)[CH2:25]C(OCC)=O>>[Cl:1][CH2:2][C:3]([NH:5][C:6]1[CH:11]=[C:10]([C:12]2[CH:25]=[CH:24][CH:14]=[CH:15][N:16]=2)[N:9]=[C:8]([C:17]2[O:18][C:19]([CH3:... | 2 |
[Cl:1][C:2]1[CH:21]=[CH:20][C:5]([O:6][C@@H:7]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C@H:8]2[O:13][CH2:12][CH2:11][NH:10][CH2:9]2)=[C:4]([O:22][CH3:23])[CH:3]=1.[BrH:24].N#N>CO>[BrH:24].[Cl:1][C:2]1[CH:21]=[CH:20][C:5]([O:6][C@@H:7]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[C@H:8]2[O:13][CH2:12][CH2:11]... | 2 |
BrCC(NCCOCCOCCNC(CONC(OC(C)(C)C)=O)=O)=O>ClCCl.C(=O)(C(F)(F)F)O>NOCC(=O)NCCOCCOCCNC(CBr)=O | 3 |
C(C)OC(C(C)(C)OC1=CC(=C(C=C1)N)F)=O.ClC1=CC=C(C=C1)N1N=C2C(=C1C(C(=O)O)C1CCCCC1)CCCCC2>>C(C)OC(C(C)(C)OC1=CC(=C(C=C1)NC(C(C1CCCCC1)C=1N(N=C2C1CCCCC2)C2=CC=C(C=C2)Cl)=O)F)=O | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.BrC1=CC=C2CCC3(C2=C1)C(C3)N>O.C1CCCO1.C(C)(=O)OCC.C([O-])([O-])=O.[Na+].[Na+]>BrC1=CC=C2CCC3(C2=C1)C(C3)NC(OC(C)(C)C)=O | 3 |
CC=1C=CC=C2C=CNC12>O.[OH-].[Na+].C(C)(=O)O.C(#N)[BH3-].[Na+]>CC=1C=CC=C2CCNC12 | 3 |
ClC=1C=C(C=CC1Cl)CC(=O)O.C[C@@H]1[C@@H](NCCC1)CO>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1>ClC=1C=C(C=CC1Cl)CC(=O)N1[C@H]([C@H](CCC1)C)CO | 3 |
C(C)(C)(C)OC(NCC1NS(NC1)(=O)=O)=O>ClCCl.O1CCOCC1.Cl>NCC1NS(NC1)(=O)=O | 3 |
CC1=CC(=NO1)C(C)(C#C)O.NC1=NC=CC(=N1)N1C(=NC2=C1C=C(C=C2)Br)OCCO>C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].CCN(CC)CC.CS(=O)C>NC1=NC=CC(=N1)N1C(=NC2=C1C=C(C=C2)C#CC(C)(O)C2=NOC(=C2)C)OCCO | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[C:9]1[N:17]2[C:12]([CH:13]=[N:14][C:15](OS(C(F)(F)F)(=O)=O)=[N:16]2)=[CH:11][CH:10]=1.[NH2:26][C:27]1[CH:32]=[CH:31][C:30]([CH:33]2[CH2:38][CH2:37][N:36]([CH2:39][C:40]([NH2:42])=[O:41])[CH2:35][CH2:34]2)=[C:29]([O:43][CH3:44])[CH:28]=1>>[CH3:44][O:43][C:29]1[CH:28]=[... | 1 |
C(C)(C)(C)OC(=O)N[C@H](C(=O)OC)CC1=C(C=CC(=C1)C(F)(F)F)O>ClCCl.BrN1C(CCC1=O)=O.C(C)(C)NC(C)C>BrC=1C(=C(C=C(C1)C(F)(F)F)C[C@@H](C(=O)OC)NC(=O)OC(C)(C)C)O | 3 |
C[O:2][C:3](=[O:41])[CH2:4][CH:5]1[C:14]2[C:9](=[C:10]([F:15])[CH:11]=[CH:12][CH:13]=2)[N:8]=[C:7]([C:16]2[CH:21]=[CH:20][C:19]([C:22]3[CH:27]=[CH:26][C:25]([F:28])=[CH:24][CH:23]=3)=[CH:18][CH:17]=2)[N:6]1[C:29]1[CH:34]=[C:33]([C:35]([F:38])([F:37])[F:36])[CH:32]=[CH:31][C:30]=1[O:39][CH3:40].[OH-].[Na+]>O1CCOCC1>[F:2... | 1 |
C([O:8][N:9]([CH2:12][C:13]1([C:19]([OH:21])=O)[CH2:18][CH2:17][CH2:16][CH2:15][CH2:14]1)[CH:10]=[O:11])C1C=CC=CC=1.[NH:22]1[CH2:26][CH2:25][CH2:24][C@H:23]1[C:27]1[NH:31][C:30]2[CH:32]=[CH:33][CH:34]=[CH:35][C:29]=2[N:28]=1>>[NH:28]1[C:29]2[CH:35]=[CH:34][CH:33]=[CH:32][C:30]=2[N:31]=[C:27]1[C@@H:23]1[CH2:24][CH2:25][... | 2 |
C([O:3][C:4](=O)[CH:5]=[C:6]1[CH2:9][CH:8]([C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([C:16]3([C:24]4[CH:29]=[CH:28][C:27]([O:30][CH:31]([F:33])[F:32])=[CH:26][CH:25]=4)[C:20](=[O:21])[N:19]([CH3:22])[C:18]([NH2:23])=[N:17]3)[CH:11]=2)[CH2:7]1)C.[H-].C([Al+]CC(C)C)C(C)C>O1CCCC1>[NH2:23][C:18]1[N:19]([CH3:22])[C:20](=[O:21])[... | 1 |
[CH2:1]1[C:5]2=[CH:6][C:7]3[CH:8]=[C:9]([OH:13])[CH:10]=[CH:11][C:12]=3[N:4]2[CH2:3][CH2:2]1.[H-].[Na+].[CH2:16](I)[CH3:17]>CN(C)C=O>[CH2:16]([O:13][C:9]1[CH:10]=[CH:11][C:12]2[N:4]3[CH2:3][CH2:2][CH2:1][C:5]3=[CH:6][C:7]=2[CH:8]=1)[CH3:17] | 1 |
IC=1N(C=2C=CC=C(C2C1)NC1CCN(CC1)C)CC(F)(F)F.C1(=CC=CC=C1)C1=CC(=CC(=N1)N)B1OC(C(O1)(C)C)(C)C>>NC1=NC(=CC(=C1)C=1N(C=2C=CC=C(C2C1)NC1CCN(CC1)C)CC(F)(F)F)C1=CC=CC=C1 | 5 |
C1(=CC=CC=C1)O.ClCCC(=O)Cl>>ClCCC(=O)OC1=CC=CC=C1 | 3 |
O[CH2:2][C@H:3]1[O:11][C@H:10]2[C@H:6]([N:7]=[C:8]([CH2:12][CH2:13][CH3:14])[S:9]2)[C@@H:5]([OH:15])[C@@H:4]1[OH:16].S(Cl)(C1C=CC(C)=CC=1)(=O)=O.[N-:28]=[N+:29]=[N-:30].[Na+]>N1C=CC=CC=1.C(Cl)Cl>[N:28]([CH2:2][C@H:3]1[O:11][C@H:10]2[C@H:6]([N:7]=[C:8]([CH2:12][CH2:13][CH3:14])[S:9]2)[C@@H:5]([OH:15])[C@@H:4]1[OH:16])=[... | 1 |
C[Si]([C:5]#[C:6][C:7]1[C:8]([NH2:14])=[N:9][C:10]([NH2:13])=[CH:11][CH:12]=1)(C)C.[F-].C([N+](CCCC)(CCCC)CCCC)CCC.O>O1CCCC1>[C:6]([C:7]1[C:8]([NH2:14])=[N:9][C:10]([NH2:13])=[CH:11][CH:12]=1)#[CH:5] | 1 |
IC1=C(C=2C=NN(C2C=C1)C1OCCCC1)C(=O)OC>>IC1=C(C=2C=NN(C2C=C1)C1OCCCC1)C(=O)O | 5 |
[NH2:1][C@H:2]([C:8]([O-:10])=[O:9])[CH2:3][CH2:4][C:5]([O-:7])=[O:6].[Sr+2].N[C@H](C([O-])=O)CCC([O-])=O.[Na+].[Na+].O.[Na+].N[C@H](C([O-])=O)CCC(O)=O.O.O.[Cl-].[Ca+2:39].[Cl-]>O>[NH2:1][C@H:2]([C:8]([O-:10])=[O:9])[CH2:3][CH2:4][C:5]([O-:7])=[O:6].[Ca+2:39] | 1 |
FC=1C=C(C=CC1[N+](=O)[O-])S(=O)(=O)Cl.Cl.Cl.FC(C(C(F)(F)F)(O)C1=CC=C(C=C1)N1CCNCC1)(F)F>>FC=1C=C(C=CC1[N+](=O)[O-])S(=O)(=O)N1CCN(CC1)C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)O | 5 |
ClC=1C=C(C(=O)O)C=CC1.BrCC(=O)C1=CC=C(C=C1)SC>C(Cl)(Cl)(Cl)[H].ClC=1C=C(C(=O)OO)C=CC1>BrCC(=O)C1=CC=C(C=C1)S(=O)C | 3 |
C(CC(=O)C)(=O)OCC1=CC=CC=C1>CC#N.CCN(CC)CC>C(C1=CC=CC=C1)OC(C(C(C)=O)=NC#N)=O | 3 |
C[Si](C)(C)[N:3]([C:8]1[CH:13]=[CH:12][CH:11]=[C:10]([CH3:14])[N:9]=1)[Si](C)(C)C.[CH:17]([N-]C(C)C)(C)C.[Li+].[C:25](=[O:27])=[O:26]>C1COCC1.C1COCC1.CCCCCCC.C(C1C=CC=CC=1)C>[CH3:17][O:26][C:25](=[O:27])[CH2:14][C:10]1[CH:11]=[CH:12][CH:13]=[C:8]([NH2:3])[N:9]=1 | 1 |
BrC1=CC(=C(C=C1)NC1=C(C(N2CCCC2=C1C(=O)O)=O)F)F>C1(=CC=CC=C1)C.N(C)(C)C=O.CCN(CC)CC.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>BrC1=CC(=C(C=C1)N1C(NC2=C3CCCN3C(C(=C12)F)=O)=O)F | 3 |
O[C@@H]1CC[C@H]2[C@]1(C[C@@H]1CC[C@H]3CC(CC[C@@H]3[C@H]1C2)=O)C>CC(=O)C.CC(=O)C.OS(=O)(=O)O.O=[Cr](=O)=O>C[C@@]12C[C@@H]3CC[C@H]4CC(CC[C@@H]4[C@H]3C[C@H]1CCC2=O)=O | 3 |
C1(=CC=CC=C1)N=C=O.CC=1C=CC(=NC1)S(=O)(=O)NC1=NC(=NC(=C1OC1=C(C=CC=C1)OC)OCC#CCO)C1=CC=NC=C1>>CC=1C=CC(=NC1)S(=O)(=O)NC1=C(C(=NC(=N1)C1=CC=NC=C1)OCC#CCOC(NC1=CC=CC=C1)=O)OC1=C(C=CC=C1)OC | 5 |
C(CCCCC)NCCCCCC.C(C)OC1=NS(N=C1OCC)(=O)=O>>C(CCCCC)N(CCCCCC)C=1C(=NS(N1)(=O)=O)OCC | 5 |
OO.NC(N)=[O:5].[CH3:7][O:8][C:9](=[O:19])[C:10]1[C:15]([Cl:16])=[CH:14][C:13]([CH3:17])=[N:12][C:11]=1[Cl:18].S([O-])([O-])(=O)=S.[Na+].[Na+].[OH-].[Na+]>FC(F)(F)C(O)=O>[CH3:17][C:13]1[CH:14]=[C:15]([Cl:16])[C:10]([C:9]([O:8][CH3:7])=[O:19])=[C:11]([Cl:18])[N+:12]=1[O-:5] | 1 |
C1(CC1)CO.ClC=1N2C=CC(C(=C2C=CC1)C1=C(C=CC=C1Cl)Cl)=O>N(C)(C)C=O.[H-].[Na+]>C1(CC1)COC=1N2C=CC(C(=C2C=CC1)C1=C(C=CC=C1Cl)Cl)=O | 3 |
[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[CH2:11][CH2:12][O:13][CH3:14])=[C:4](Cl)[N:3]=1.C(=O)([O-])[O-].[K+].[K+].[OH:22][C:23]1[CH:24]=[C:25](B(O)O)[CH:26]=[CH:27][CH:28]=1.ClCCl>O1CCOCC1.[Pd](Cl)Cl.C1(P(C2C=CC=CC=2)[C-]2C=CC=C2)C=CC=CC=1.[C-]1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=C1.[Fe+2]>[Cl:1][C:2]1[N:10]=[C:9... | 2 |
C(C=C)I.FC=1C=C2C(C(=O)OC(N2)=O)=CC1>>FC1=CC2=C(C(OC(N2CC=C)=O)=O)C=C1 | 5 |
CC1(OC[C@H](O1)CN1N=C(C(=C1)N=C(C1=CC=CC=C1)C1=CC=CC=C1)C)C>CO[H].Cl.NO.C(C)(=O)[O-].[Na+].C(O)([O-])=O.[Na+]>CC1(OC[C@H](O1)CN1N=C(C(=C1)N)C)C | 3 |
C(C1=CC=CC=C1)O.C(C)(C)(C)C=1C(=NC(=NC1Cl)Cl)Cl>[Na]>C(C1=CC=CC=C1)OC1=NC(=C(C(=N1)OCC1=CC=CC=C1)C(C)(C)C)Cl | 3 |
[N:1]1[C:8]([Cl:9])=[N:7][C:5](Cl)=[N:4][C:2]=1[Cl:3].[NH:10]1[CH2:15][CH2:14][O:13][CH2:12][CH2:11]1>CC(C)=O>[Cl:9][C:8]1[N:1]=[C:2]([Cl:3])[N:4]=[C:5]([N:10]2[CH2:15][CH2:14][O:13][CH2:12][CH2:11]2)[N:7]=1 | 1 |
[OH:1][C@H:2]1[CH2:6][CH2:5][C@@H:4]([C:7]([O-:9])=[O:8])[C@@H:3]1[C:10]1[CH:15]=[CH:14][C:13]([F:16])=[CH:12][CH:11]=1.C[C@@H]([NH3+])C1C=CC=CC=1.Cl.CCO>O>[OH:1][C@H:2]1[CH2:6][CH2:5][C@@H:4]([C:7]([OH:9])=[O:8])[C@@H:3]1[C:10]1[CH:15]=[CH:14][C:13]([F:16])=[CH:12][CH:11]=1 | 1 |
BrCCO.ClC1=C2N=C(C=NC2=CC=C1OC=1C=CC2=C(N(C(=N2)C)COCC[Si](C)(C)C)C1)C=1C=NNC1>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>ClC=1C(=CC=C2N=CC(=NC12)C=1C=NN(C1)CCO)OC1=CC2=C(N=C(N2COCC[Si](C)(C)C)C)C=C1 | 3 |
[CH:1]1([CH2:7][C:8](Cl)=[O:9])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[N+:11](=[CH2:13])=[N-:12]>CCOCC>[N+:11](=[CH:13][C:8]([CH2:7][CH:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1)=[O:9])=[N-:12] | 1 |
ClC1=CN=C(C(=N1)N)OC>CO[H].ClCCCl>NC=1C(=NC=C(N1)Cl)O | 3 |
Cl[Si](CC)(CC)CC.[Si](C)(C)(C(C)(C)C)O[C@H](C[C@H]1C[C@H](OC(O1)(C)C)C[C@H]1C[C@H](OC(O1)(C)C)C[C@@H]1OC(O[C@@H]([C@H]1CO)CCCCC)(C)C)[C@H]1OC(O[C@@H]1C#C)(C)C>O.ClCCl.CCN(CC)CC>C(C)(C)(C)[Si](C)(C)O[C@H](C[C@@H]1OC(O[C@@H](C1)C[C@@H]1OC(O[C@@H](C1)C[C@@H]1OC(O[C@@H]([C@H]1CO[Si](CC)(CC)CC)CCCCC)(C)C)(C)C)(C)C)[C@H]1OC(... | 3 |
[Li+].[CH3:2][CH:3]([N-]C(C)C)[CH3:4].[CH2:9]([O:11][C:12](=[O:38])[CH2:13][C:14]1[CH:15]=[C:16]([C:28]2[CH:33]=[CH:32][C:31]([C:34]([F:37])([F:36])[F:35])=[CH:30][CH:29]=2)[CH:17]=[C:18]([O:20][CH2:21][C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)[CH:19]=1)[CH3:10].ICCC.[Cl-].[NH4+]>C1COCC1>[CH2:9]([O:11][C:12](=[O:3... | 1 |
[CH:1]1([N:7]([C@H:29]2[CH2:34][CH2:33][C@H:32]([CH3:35])[CH2:31][CH2:30]2)[C:8](=[O:28])[NH:9][C:10]2[S:11][C:12]([S:15]([N:18](C)[CH2:19][C:20]([N:22]([CH2:25][CH3:26])[CH2:23][CH3:24])=[O:21])(=[O:17])=[O:16])=[CH:13][N:14]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C1(N([C@H]2CC[C@H](C)CC2)C(=O)NC2SC(S(NCC(O)=O)(=O)=O)... | 1 |
C(C)(C)(C)[Si](C)(C)Cl.ClC1=C2N=CN(C2=NC=N1)[C@@H]1C[C@@H]([C@H](C1)O)CO>N(C)(C)C=O.C1(=CC=NC=C1)N(C)C.c1cnc[nH]1>[Si](C)(C)(C(C)(C)C)OC[C@@H]1[C@H](C[C@@H](C1)N1C2=NC=NC(=C2N=C1)Cl)O | 3 |
[CH3:1][O:2][C:3]1[C:14]([O:15][CH3:16])=[CH:13][C:6]2[NH:7][C:8](=[O:12])[O:9][C:10](=[O:11])[C:5]=2[CH:4]=1.[H-].[Na+].I[CH3:20].O>CN(C)C=O>[CH3:1][O:2][C:3]1[C:14]([O:15][CH3:16])=[CH:13][C:6]2[N:7]([CH3:20])[C:8](=[O:12])[O:9][C:10](=[O:11])[C:5]=2[CH:4]=1 | 1 |
[Si:1]([O:8][CH2:9][C@H:10]1[O:15][C@:14]([C:18]2[CH:23]=[CH:22][C:21]([Cl:24])=[C:20]([CH2:25][C:26]3[CH:31]=[CH:30][C:29]([O:32][CH2:33][C:34]([F:37])([F:36])[F:35])=[CH:28][CH:27]=3)[CH:19]=2)([O:16][CH3:17])[C@H:13]([OH:38])[C@@H:12]([OH:39])[C@@H:11]1O)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[H-].[Na+].[C... | 1 |
C(CCC)C=1N=C(N(C(C1CC=1C=CC(=NC1)C1=C(C(N)=NO)C=CC=C1)=O)C1=NC=CC=C1)C>N(C)(C)C=O.C(=O)(C=1NC=CN1)C=1NC=CN1.C1CCC2=NCCCN2CC1>C(CCC)C=1N=C(N(C(C1CC=1C=CC(=NC1)C1=C(C=CC=C1)C1=NOC(N1)=O)=O)C1=NC=CC=C1)C | 3 |
[C:1]([C:5]1[CH:9]=[C:8]([S:10][CH3:11])[NH:7][N:6]=1)([CH3:4])([CH3:3])[CH3:2].[CH3:12][N:13]([CH3:17])[C:14](Cl)=[O:15]>N1C=CC=CC=1>[C:1]([C:5]1[CH:9]=[C:8]([S:10][CH3:11])[N:7]([C:14](=[O:15])[N:13]([CH3:17])[CH3:12])[N:6]=1)([CH3:4])([CH3:2])[CH3:3] | 1 |
BrC1=C(C(=CC(=C1)C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)Br)NC(C1=CC(=C(C=C1)N1N=CN=C1)[N+](=O)[O-])=O>O.[Fe].CCO[H].Cl>NC=1C=C(C(=O)NC2=C(C=C(C=C2Br)C(C(C(F)(F)F)(F)F)(C(F)(F)F)F)Br)C=CC1N1N=CN=C1 | 3 |
N1CCC(CC1)N1C(NC2=NC=CC=C21)=O.ClC1=CC(=NC(=C1)OC)C(=O)N1CCC2=CC(=CC=C12)F>CN1C(CCC1)=O>FC=1C=C2CCN(C2=CC1)C(=O)C1=CC(=CC(=N1)OC)N1CCC(CC1)N1C(NC2=NC=CC=C21)=O | 3 |
[NH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Br:8])[C:3]=1[CH2:9][OH:10].[C:11](OC(Cl)(Cl)Cl)(OC(Cl)(Cl)Cl)=[O:12]>O1CCCC1>[Br:8][C:4]1[C:3]2[CH2:9][O:10][C:11](=[O:12])[NH:1][C:2]=2[CH:7]=[CH:6][CH:5]=1 | 2 |
COCCl.BrC1=C(CO)C=CC(=C1)SC1=CC(=C(C=C1)Cl)Cl>ClCCl.C(C)(C)N(C(C)C)CC>BrC=1C=C(C=CC1COCOC)SC1=CC(=C(C=C1)Cl)Cl | 3 |
F[P-](F)(F)(F)(F)F.[N:8]1(OC(N(C)C)=[N+](C)C)C2C=CC=CC=2N=N1.Cl.[CH3:26][N:27]([CH3:33])[CH2:28][CH2:29][C:30](O)=[O:31].[Cl:34][C:35]1[CH:60]=[CH:59][C:38]2[N:39]3[C:43]([CH2:44][NH:45][CH2:46][C:37]=2[CH:36]=1)=[N:42][N:41]=[C:40]3[CH:47]1[CH2:52][CH2:51][N:50]([C:53]2[CH:58]=[CH:57][CH:56]=[CH:55][N:54]=2)[CH2:49][C... | 1 |
C1(=CC=CC=C1)CC#N>>Cl.C1(=CC=CC=C1)CC(OCC)=N | 5 |
C(C)(C)OB1OC(C(O1)(C)C)(C)C.BrC1=CC=CC2=CC=CC(=C12)SC>C1CCCO1.C(CCC)[Li].C(O)([O-])=O.[Na+]>CC1(OB(OC1(C)C)C1=CC=CC2=CC=CC(=C12)SC)C | 3 |
[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[N:10][C:11]=1F)[N:8]([C:13]1[CH:18]=[CH:17][C:16]([F:19])=[CH:15][C:14]=1[F:20])[CH:7]=[C:6]([C:21]([OH:23])=[O:22])[C:5]2=[O:24].Cl.Cl.[NH2:27][CH2:28][CH:29]1[C:33](=[N:34][O:35][C:36]([CH3:39])([CH3:38])[CH3:37])[CH2:32][NH:31][CH2:30]1.N12CCCN=C1CCCCC2>C(#N)C>[NH2:27][CH2:28][CH:29]1... | 1 |
BrC1C(=O)NC(C1)=O.C(C)(C)N1CC(C2=CC(=CC=C12)C(=O)OC)C(C)C>O.O1CCOCC1>BrC=1C=C(C=C2C(CN(C12)C(C)C)C(C)C)C(=O)OC | 3 |
[NH2:1][C:2]1[CH:12]=[CH:11][C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[CH:4][CH:3]=1.C(N(CC)CC)C.[Br:20]Br.O>C(O)(=O)C>[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[CH:11][C:12]=1[Br:20] | 1 |
NC=1C=C(C=CC1)NS(=O)(=O)C.ClC=1OC(=CN1)C1=CC=C(C#N)C=C1>CC(C)O>C(#N)C1=CC=C(C=C1)C1=CN=C(O1)NC=1C=C(C=CC1)NS(=O)(=O)C | 3 |
FC1=CC=C(C=C1)N1C(=C(C2=C1C=C1C=NNC1=C2)CCC(=O)O)C(C)C.O[C@@H]1[C@H](OC([C@@H]([C@H]1O)O)O)C(=O)OCC=C>CC#N.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C=C)OC(=O)[C@H]1OC([C@@H]([C@H]([C@@H]1O)O)O)OC(CCC1=C(N(C=2C=C3C=NNC3=CC21)C2=CC=C(C=C2)F)C(C)C)=O | 3 |
C(#N)CC=1C=C(C(=O)OC)C=CC1>>NCCC=1C=C(CO)C=CC1 | 5 |
[Br:1][C:2]1[CH:3]=[C:4]([N+:9]([O-])=O)[C:5]([Cl:8])=[N:6][CH:7]=1.[OH-].[Na+]>Cl>[Br:1][C:2]1[CH:3]=[C:4]([NH2:9])[C:5]([Cl:8])=[N:6][CH:7]=1 | 1 |
C(C)C1=CC=C(C=C1)B(O)O.COCOC.ClC1=CC=C(C=N1)CC(=O)NCC1=CC(=CC=C1)F>O.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C(C)C1=CC=C(C=C1)C1=CC=C(C=N1)CC(=O)NCC1=CC(=CC=C1)F | 3 |
[OH:1][C:2]1[C:3]([C:17](=O)[CH3:18])=[CH:4][S:5][C:6]=1[C:7]1[CH:16]=[CH:15][C:14]2[CH2:13][CH2:12][CH2:11][CH2:10][C:9]=2[CH:8]=1.[NH:20]1[C:24]([C:25]2[CH:34]=[CH:33][C:28]([C:29]([NH:31][NH2:32])=[O:30])=[CH:27][CH:26]=2)=[N:23][N:22]=[N:21]1.Cl.O>CN(C)C=O>[OH:1][C:2]1[C:3]([C:17](=[N:32][NH:31][C:29](=[O:30])[C:28... | 1 |
[CH3:1][Si:2]([CH3:13])([CH3:12])[C:3]1[CH:8]=[CH:7][C:6](B(O)O)=[CH:5][CH:4]=1.Cl[C:15]1[C:24]2[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=2)[CH:18]=[CH:17][N:16]=1.C(=O)([O-])[O-].[Cs+].[Cs+].C(P(C(C)(C)C)C[Si](C)(C)C)(C)(C)C>[Pd].[Pd].C(=CC(C=CC1C=CC=CC=1)=O)C1C=CC=CC=1.C(=CC(C=CC1C=CC=CC=1)=O)C1C=CC=CC=1.C(=CC(C=CC1C=CC=... | 1 |
[CH3:1][O:2][C:3](=[O:21])[CH2:4][S:5][C:6]1[C:11]([C:12]#[N:13])=[C:10]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[N:9]=[C:8]([NH2:20])[N:7]=1.C[O-].[Na+]>CO>[CH3:1][O:2][C:3]([C:4]1[S:5][C:6]2[N:7]=[C:8]([NH2:20])[N:9]=[C:10]([C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)[C:11]=2[C:12]=1[NH2:13])=[O:21] | 1 |
C(C1=CC=CC=C1)Br.IC1=C(C=CC=C1)O>>C(C1=CC=CC=C1)OC1=C(C=CC=C1)I | 5 |
C(C1=CC=CC=C1)N.C[C@@H](C(=O)O)NC(=O)OC(C)(C)C>>C(C)(C)(C)OC(N[C@@H](C)C(NCC1=CC=CC=C1)=O)=O | 3 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([Br:8])=[CH:4][C:3]=1[C:9]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)=[O:10].[CH3:17][O:18][C:19]1[CH:24]=[CH:23][C:22]([S:25](Cl)(=[O:27])=[O:26])=[CH:21][CH:20]=1>>[C:9]([C:3]1[CH:4]=[C:5]([Br:8])[CH:6]=[CH:7][C:2]=1[NH:1][S:25]([C:22]1[CH:21]=[CH:20][C:19]([O:18][CH3:17])=[CH:24]... | 1 |
C(C)C1=C(C=CC=C1)CO>C(Cl)(Cl)(Cl)[H].[O-2].[O-2].[Mn+4]>C(C)C1=C(C=O)C=CC=C1 | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C:11](=[O:14])[CH2:10][C@@H:9]1[C:15]([OH:17])=[O:16])=[O:7])([CH3:4])([CH3:3])[CH3:2].[C:18](=O)([O-])[O-].[Cs+].[Cs+].IC.O>CN(C=O)C>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C:11](=[O:14])[CH2:10][C@@H:9]1[C:15]([O:17][CH3:18])=[O:16])=[O:7])([CH3:4])([CH3:2])[CH3:3] | 2 |
[F:1][C:2]1[CH:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4](Cl)=[O:5].[Cl-].[Al+3].[Cl-].[Cl-].[CH:15]([C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1)([CH2:17][CH3:18])[CH3:16]>[SH-].[C+4].[SH-].[SH-].[SH-]>[CH:15]([C:19]1[CH:24]=[CH:23][C:22]([C:4]([C:3]2[CH:7]=[CH:8][CH:9]=[CH:10][C:2]=2[F:1])=[O:5])=[CH:21][CH:20]=1)([CH2:17... | 1 |
[NH2:1][C:2]1[CH:3]=[N:4][CH:5]=[CH:6][C:7]=1[N:8]1[CH2:13][C@H:12]([C:14]([F:17])([F:16])[F:15])[CH2:11][C@H:10]([NH:18][C:19](=[O:25])[O:20][C:21]([CH3:24])([CH3:23])[CH3:22])[CH2:9]1.[C:26]([O:30][C:31]([NH:33][C:34]1[O:42][C:41]2[C:36](=[N:37][CH:38]=[C:39]([CH2:43][N:44]3[CH2:47][C:46]([F:49])([F:48])[CH2:45]3)[CH... | 2 |
C(C)(C)(C)OC(=O)NCCCCCCC(=O)O.ONC(CCC(=O)N)=O>>O=C1N(C(CC1)=O)OC(CCCCCCNC(=O)OC(C)(C)C)=O | 5 |
C(CO)O.C(C)OC(C1=C(C(=C(C(=C1)C(F)(F)F)C=O)Cl)N)=O>>NC1=C(C(=O)OCC)C=C(C(=C1Cl)C1OCCO1)C(F)(F)F | 5 |
C(C)(C)(C)O[C@H](C(=O)OCC)C1=C(C2=C(N=C(S2)C=2C=C3C(=NN(C3=CC2)C)C2CCNCC2)C=C1C)C1=CC=C(C=C1)Cl>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>C(C)(C)(C)O[C@H](C(=O)OCC)C1=C(C2=C(N=C(S2)C=2C=C3C(=NN(C3=CC2)C)C2CCN(CC2)S(=O)(=O)C)C=C1C)C1=CC=C(C=C1)Cl | 3 |
FC1=C(C(=O)Cl)C=CC=C1.CC1=C(C=CC=C1)C1=CN=C([Se]1)N>>ClC1=C(C=CC=C1)C(=O)NC=1[Se]C(=CN1)C1=C(C=CC=C1)C | 5 |
ClC1=NC=C(C(=O)N)C=C1.C(C)(C)(C)OC(=O)N1CC2=CC=CC=C2CC1>>C(C)(C)(C)OC(=O)N1CC2=CC=CC(=C2CC1)OC1=NC=C(C=C1)C(N)=O | 5 |
BrC=1C=CC(=NC1)C(C)(C)O[Si](C)(C)C(C)(C)C.FC(C1=CC2=C(C(=N1)C1=C(C=CC=C1)OCC(F)(F)F)CNC2=O)F>C1(=CC=CC=C1)C.CC(C)(C)[O-].[Na+].Nc1ccccc1-c2ccccc2[Pd]Cl.Nc3ccccc3-c4ccccc4[Pd]Cl.CC(C)c5cc(C(C)C)c(-c6cccc(c6)P(C7CCCCC7)C8CCCCC8)c(c5)C(C)C.CC(C)c9cc(C(C)C)c(c(c9)C(C)C)-c%10ccccc%10P(C%11CCCCC%11)C%12CCCCC%12>[Si](C)(C)(C(... | 3 |
CC(C)(C#C)N.FC1=CC(=C(C(=O)O)C=C1F)NCC(C)C>ClCCl.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>FC1=CC(=C(C(=O)NC(C)(C#C)C)C=C1F)NCC(C)C | 3 |
[CH2:1]([N:8]1[CH2:13][CH2:12][C:11]([CH2:21][O:22][CH3:23])([NH:14][C:15]2[CH:20]=CC=CC=2)[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C[O:25][CH2:26][C:27](Cl)=O.C(N(CC)CC)C.[OH-:37].[Na+].[C:39]1(C)C=[CH:43][CH:42]=[CH:41][CH:40]=1>>[CH2:1]([N:8]1[CH2:9][CH2:10][C:11]([CH2:21][O:22][CH3:23])([N:14]([O:2... | 1 |
O[CH2:2][C:3]1[CH:8]=[CH:7][C:6]([OH:9])=[CH:5][CH:4]=1.[N+:10]([CH:13]([CH3:15])[CH3:14])([O-:12])=[O:11].CC(C)([O-])C.[K+]>COCCOCCOC>[CH3:14][C:13]([N+:10]([O-:12])=[O:11])([CH3:15])[CH2:2][C:3]1[CH:8]=[CH:7][C:6]([OH:9])=[CH:5][CH:4]=1 | 1 |
NC=1C2=C(N=CN1)N(C=C2C#N)CC=2C=C1C=C(C=NC1=CC2)Cl>O.S(O)(O)(=O)=O.C(C)(=O)O>NC=1C2=C(N=CN1)N(C=C2C(=O)O)CC=2C=C1C=C(C=NC1=CC2)Cl | 3 |
[F:1][C:2]1([F:30])[CH2:7][CH2:6][N:5]([C:8]([C:10]2[NH:11][C:12]3[C:17]([CH:18]=2)=[CH:16][C:15]([C:19]([N:21]2[CH2:26][CH2:25][N:24]([CH:27]([CH3:29])[CH3:28])[CH2:23][CH2:22]2)=[O:20])=[CH:14][CH:13]=3)=[O:9])[CH2:4][CH2:3]1.[CH3:31][O:32][C:33]([C:35]1[CH:40]=[CH:39][C:38](B(O)O)=[CH:37][CH:36]=1)=[O:34].N1C=CC=CC=... | 1 |
CS(=O)(=O)Cl.ClCCN(C1=C(C(=O)N)C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCO>C1CCCO1.CCN(CC)CC>CS(=O)(=O)OCCN(C1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)N)CCCl | 3 |
C(#C)[Si](C)(C)C.ClC1=NC(=CC(=C1O)I)CO>[Cu]I.C1CCCO1.C(Cl)(Cl)(Cl)[H].C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].CCN(CC)CC>ClC1=NC(=CC(=C1O)C#C[Si](C)(C)C)CO | 3 |
C(CCC#C)O.ClC1=CC=C2C(=CN=CC2=C1)N1C(NC(CC1)=O)=O>N(C)(C)C=O.CCN(CC)CC.CC(C)C1=CC(=C(C(=C1)C(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4)C(C)C.CS(=O)(=O)[O-].C1=CC=C(C=C1)C2=CC=CC=C2N.[Pd]>OCCCC#CC1=CC=C2C(=CN=CC2=C1)N1C(NC(CC1)=O)=O | 3 |
C(C)C=1C=NC=CC1C(=O)NC=1C=NC=2N(C(CCC2C1)=O)CC1=CC=C(C=C1)OC>ClCCl.O=S(=O)(O)C.Cl>C(C)C=1C=NC=CC1C(=O)NC=1C=NC=2NC(CCC2C1)=O | 3 |
[Br:1][C:2]1[CH:3]=[C:4]([F:9])[C:5]([OH:8])=[N:6][CH:7]=1.O[CH2:11][C@@H:12]([N:14]1[C:22](=[O:23])[C:21]2[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=2)[C:15]1=[O:24])[CH3:13]>>[Br:1][C:2]1[CH:3]=[C:4]([F:9])[C:5]([O:8][CH2:13][C@@H:12]([N:14]2[C:22](=[O:23])[C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[C:15]2=[O:24])[CH3... | 1 |
Cl.ClC1=NC=C(C(=N1)NC1CC(NC(C1)(C)C)(C)C)F.C1(CC1)C=1C=C(C=C(C1F)N1N=NN=C1)N>O.C1(=CC=C(C=C1)S(=O)(=O)O)C.CC(C)O.N1N=NN=C1>N.C1(CC1)C=1C=C(C=C(C1F)N1N=NN=C1)NC1=NC=C(C(=N1)NC1CC(NC(C1)(C)C)(C)C)F | 3 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C@H:8]2[C@@H:12]([C:13]3[CH:18]=[CH:17][C:16]([Cl:19])=[CH:15][CH:14]=3)[N:11]([C:20](Cl)=[O:21])[C:10]([C:23]3[CH:28]=[CH:27][C:26]([C:29]([C:32]#[N:33])([CH3:31])[CH3:30])=[CH:25][C:24]=3[O:34][CH2:35][CH3:36])=[N:9]2)=[CH:4][CH:3]=1.Cl.Cl.[CH3:39][S:40]([CH2:43][CH2:44][N:45]1[CH2:50]... | 1 |
C(C)(C)(C)OC(=O)N(C(CCO)C=1C=C(C=NC1)C(=O)OC)O>O.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.N(=NC(=O)OC(C)C)C(=O)OC(C)C>COC(=O)C=1C=C(C=NC1)C1N(OCC1)C(=O)OC(C)(C)C | 3 |
N1=CC(=CC=C1)CCCOCCN.ClC1=NC(=CC(=C1[N+](=O)[O-])Cl)C>>ClC1=NC(=CC(=C1[N+](=O)[O-])NCCOCCCC=1C=NC=CC1)C | 5 |
[C]=O.ClC=1C(=NSN1)C(=O)N>CO[H].[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CCN(CC)CC.C=1C=CC(=CC1)P(CCCP(C=2C=CC=CC2)C=3C=CC=CC3)C=4C=CC=CC4>C(N)(=O)C=1C(=NSN1)C(=O)OC | 3 |
C1(CCCCC1)=O.N(=O)OC>O.C(C)OCC.S(O)(O)(=O)=O.CO[H].Cl.N(=O)[O-].[Na+]>N(O)=C1C(C(CCC1)=NO)=O | 3 |
[CH2:1]([O:3][P:4]([CH2:9][C:10](Cl)=[O:11])([O:6][CH2:7][CH3:8])=[O:5])[CH3:2].[CH2:13]([OH:16])[C:14]#[CH:15].C(N(CC)CC)C>C1(C)C=CC=CC=1>[CH2:7]([O:6][P:4]([CH2:9][C:10]([O:16][CH2:13][C:14]#[CH:15])=[O:11])([O:3][CH2:1][CH3:2])=[O:5])[CH3:8] | 1 |
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