smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C1=CC=CC=C1)N1CCC=2C(=NC=NC2C1)Cl.FC(C(=O)O)(F)F.C1(CCC1)N1CCNCC1>>C(C1=CC=CC=C1)N1CC=2N=CN=C(C2CC1)N1CCN(CC1)C1CCC1 | 5 |
BrC1=CC=2C(=NC(=C(N2)Cl)N2C[C@@H](CC2)N(C(OC(C)(C)C)=O)C)N=C1>CCO[H].O.NN>BrC1=CC=2C(=NC(=C(N2)NN)N2C[C@@H](CC2)N(C(OC(C)(C)C)=O)C)N=C1 | 3 |
[O:1]1CCO[CH:2]1[C:6]1[N:7]([CH3:19])[CH:8]=[C:9]([C:11]2[CH:12]=[CH:13][C:14]([CH2:17]C)=[N:15][CH:16]=2)[N:10]=1.C(Cl)Cl.Cl.C(=O)(O)[O-].[Na+]>CC#N>[CH3:19][N:7]1[CH:8]=[C:9]([C:11]2[CH:16]=[N:15][C:14]([CH3:17])=[CH:13][CH:12]=2)[N:10]=[C:6]1[CH:2]=[O:1] | 1 |
CC1(OB(OC1(C)C)C=1CN(CC1)C(=O)OC(C)(C)C)C.BrC1=NN(C=C1C=1N=C(SC1)NC1=NC=CC(=N1)C)CC1=CC=C(C=C1)OC>O.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(O)([O-])=O.[Na+]>COC1=CC=C(CN2N=C(C(=C2)C=2N=C(SC2)NC2=NC=CC(=N2)C)C=2CN(CC2)C(=O)OC(C)(C)C)C=C1 | 3 |
CN(C(C#CC(=O)O)(C)C)C.N1CC(C1)OCC(C(=O)OC(C)(C)C)C(C)C>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>CN(C(C#CC(=O)N1CC(C1)OCC(C(=O)OC(C)(C)C)C(C)C)(C)C)C | 3 |
ClC=1SC(=CN1)C#N.O1CCC=2C1=C(N=CC2)N>C1CCCO1.[H-].[Na+]>O1CCC=2C1=C(N=CC2)NC=2SC(=CN2)C#N | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-])=O)=[C:4]([CH2:11][CH:12]=[CH2:13])[CH:3]=1>CO.[OH-].[OH-].[Pd+2]>[F:1][C:2]1[CH:7]=[CH:6][C:5]([NH2:8])=[C:4]([CH2:11][CH2:12][CH3:13])[CH:3]=1 | 1 |
C(C)OC(C(=O)OCC)=N.C(#N)C=1C=C(C=C(C1)F)CC(=O)NN>C(C)OCC.CCO[H]>C(#N)C=1C=C(C=C(C1)F)CC(=O)NNC(C(=O)OCC)=N | 3 |
BrC1=CC(=NC=C1)C1OCCO1>O.O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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].C(C)(=O)[O-].[K+]>O1C(OCC1)C1=NC=CC(=C1)B(O)O | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:10]=[C:11](OS(C(F)(F)F)(=O)=O)[CH:12]=1)[C:6]([O:8][CH3:9])=[O:7].[NH:21]1[C:29]2[C:24](=[CH:25][C:26](B(O)O)=[CH:27][CH:28]=2)[CH:23]=[CH:22]1.P([O-])([O-])([O-])=O.[K+].[K+].[K+].COCCOC>C(OCC)(=O)C.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[NH:21]1[C:29]2[C:24](=[CH:25][C:26]([C:11]3[CH:10]=[C:5]([CH:4]=[C:3]([O:2][CH3:1])[CH:12]=3)[C:6]([O:8][CH3:9])=[O:7])=[CH:27][CH:28]=2)[CH:23]=[CH:22]1 | 1 |
C[Si](C)(C)C=[N+]=[N-].IC=1C(=NC(=NC1C(F)(F)F)SC)C=1N=NNN1>>IC=1C(=NC(=NC1C(F)(F)F)SC)C=1N=NN(N1)C | 5 |
[H-].[H-].[H-].[H-].[Li+].[Al+3].C([O:9][C:10]([CH:12]1[CH2:17][C:16](=O)[CH2:15][CH2:14][O:13]1)=O)C.C1C[O:22]CC1>>[OH:9][CH2:10][C:12]1([OH:22])[CH2:17][CH2:16][CH2:15][CH2:14][O:13]1 | 1 |
CN([C@@H]1CN(CC1)C(=O)OC(C)(C)C)C1=CC=C(C=C1)[N+](=O)[O-]>ClCCl.C(=O)(C(F)(F)F)O>CN([C@@H]1CNCC1)C1=CC=C(C=C1)[N+](=O)[O-] | 3 |
ClC=1C=C(C=CC1)[C@H](OCCNC(OC)=O)C1=CC(=CC=C1)C(=O)NC[C@H](C[C@@H]1COCCC1)N(C)C(=O)OC(C)(C)C>CC#N.Cl.O1CCOCC1>ClC=1C=C(C=CC1)[C@H](OCCNC(OC)=O)C1=CC(=CC=C1)C(=O)NC[C@H](C[C@@H]1COCCC1)NC | 3 |
[NH2:1][CH2:2][CH2:3][C:4]1[CH:9]=[CH:8][C:7]([S:10]([CH:13]2[CH2:18][CH2:17][N:16]([C:19]([NH:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29])=[O:20])[CH2:15][CH2:14]2)(=[O:12])=[O:11])=[CH:6][CH:5]=1.[O:30]1[CH2:32][C@H:31]1[CH2:33][O:34][C:35]1[CH:43]=[CH:42][C:38]2[O:39][CH2:40][O:41][C:37]=2[CH:36]=1>>[CH2:22]([NH:21][C:19]([N:16]1[CH2:17][CH2:18][CH:13]([S:10]([C:7]2[CH:6]=[CH:5][C:4]([CH2:3][CH2:2][NH:1][CH2:32][C@H:31]([OH:30])[CH2:33][O:34][C:35]3[CH:43]=[CH:42][C:38]4[O:39][CH2:40][O:41][C:37]=4[CH:36]=3)=[CH:9][CH:8]=2)(=[O:12])=[O:11])[CH2:14][CH2:15]1)=[O:20])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH3:29] | 1 |
CI.FC1=CC=C(C=C1)[C@@H]1N(CCC2=CC=CC=C12)C(=O)N1C[C@H](OCC1)CNC(OC(C)(C)C)=O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>FC1=CC=C(C=C1)[C@@H]1N(CCC2=CC=CC=C12)C(=O)N1C[C@H](OCC1)CN(C(OC(C)(C)C)=O)C | 3 |
C(=C)OCCONC(=O)C=1C(=C(C(N2CCCC12)=O)F)NC1=C(C=C(C=C1)I)F>>FC=1C(N2CCCC2=C(C1NC1=C(C=C(C=C1)I)F)C(=O)NOCCO)=O | 5 |
[S:1]1[CH:5]=[CH:4][CH:3]=[C:2]1[C:6]1[CH:10]=[C:9]([CH2:11][CH2:12][CH:13]=O)[O:8][N:7]=1.Cl.[Cl:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=1[N:23]1[CH2:28][CH2:27]C[CH2:25][CH2:24]1.C([N:32](C(C)C)CC)(C)C.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+]>C(Cl)Cl>[Cl:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=1[N:23]1[CH2:28][CH2:27][N:32]([CH2:13][CH2:12][CH2:11][C:9]2[O:8][N:7]=[C:6]([C:2]3[S:1][CH:5]=[CH:4][CH:3]=3)[CH:10]=2)[CH2:25][CH2:24]1 | 1 |
BrC1=CC=C(S1)[C@H]1[C@@H](C1)C(=O)O>C1(=CC=CC=C1)C.O.CCN(CC)CC.CC(=O)C.[N-]=[N+]=[N-].[Na+].CC(C)(C)O.ClC(=O)OCC>C(C)(C)(C)OC(NC1C(C1)C=1SC(=CC1)Br)=O | 3 |
CNS(=O)(=O)Cl.C[Si](CCOCN1C=CC=2C1=NC=CC2)(C)C>O.ClCCl.CCN(CC)CC>C(C)C1(CCN(CC1)S(NC)(=O)=O)C(=O)N(CC(NC=1C=C2C[C@]3(C(NC4=NC=CC=C43)=O)CC2=CC1)=O)CC1=C(CN(C(OC(C)(C)C)=O)C)C=CC=C1 | 3 |
[CH2:1]([O:8][C:9]([NH:11][C@@H:12]([CH2:16][C:17]1[CH:22]=[CH:21][C:20]([O:23][CH2:24][CH2:25][CH2:26][C:27](=[O:35])[NH:28][C:29]2[NH:30][CH2:31][CH2:32][CH2:33][N:34]=2)=[CH:19][CH:18]=1)[C:13]([OH:15])=[O:14])=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.S(Cl)([Cl:38])=O.[CH:40](O)([CH3:42])[CH3:41]>>[ClH:38].[CH2:1]([O:8][C:9]([NH:11][C@@H:12]([CH2:16][C:17]1[CH:22]=[CH:21][C:20]([O:23][CH2:24][CH2:25][CH2:26][C:27](=[O:35])[NH:28][C:29]2[NH:34][CH2:33][CH2:32][CH2:31][N:30]=2)=[CH:19][CH:18]=1)[C:13]([O:15][CH:40]([CH3:42])[CH3:41])=[O:14])=[O:10])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 1 |
N1([CH:10]([NH:26][C:27](=[O:30])[O:28][CH3:29])[CH2:11][C@H:12]([NH:15][C:16]2[CH:21]=[CH:20][C:19]([C:22]([F:25])([F:24])[F:23])=[CH:18][CH:17]=2)[CH2:13][CH3:14])C2C=CC=CC=2N=N1.O.C1(C)C=CC(S(O)(=O)=O)=CC=1.C(OCC)(=O)C.C(=O)(O)[O-].[Na+]>CO>[CH2:13]([C@@H:12]1[CH2:11][C@H:10]([NH:26][C:27](=[O:30])[O:28][CH3:29])[C:17]2[C:16](=[CH:21][CH:20]=[C:19]([C:22]([F:23])([F:24])[F:25])[CH:18]=2)[NH:15]1)[CH3:14] | 2 |
[CH2:1]([O:3][C:4](=[O:22])[CH2:5][N:6]([CH2:13][C:14]1[C:15]([NH2:21])=[N:16][CH:17]=[C:18]([Br:20])[CH:19]=1)[CH2:7][C:8](OCC)=[O:9])[CH3:2].[H-].[Na+]>CS(C)=O.O>[CH2:1]([O:3][C:4](=[O:22])[CH2:5][N:6]1[CH2:13][C:14]2[CH:19]=[C:18]([Br:20])[CH:17]=[N:16][C:15]=2[NH:21][C:8](=[O:9])[CH2:7]1)[CH3:2] | 1 |
[NH:1]([C:43]([O:45][C:46]([CH3:49])([CH3:48])[CH3:47])=[O:44])[C@H:2]([C:11]([NH:13][C@@H:14]([C:20]([NH:22][CH2:23][C:24]([N:26]([CH3:42])[C@H:27]([C:35]([NH:37][NH:38][C:39]([CH3:41])=[O:40])=[O:36])[CH2:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)=[O:25])=[O:21])[CH2:15][CH2:16][S:17]([CH3:19])=[O:18])=[O:12])[CH2:3][C:4]1[CH:9]=[CH:8][C:7]([OH:10])=[CH:6][CH:5]=1.C[OH:51]>>[NH:1]([C:43]([O:45][C:46]([CH3:49])([CH3:48])[CH3:47])=[O:44])[C@H:2]([C:11]([NH:13][C@@H:14]([C:20]([NH:22][CH2:23][C:24]([OH:25])=[O:51])=[O:21])[CH2:15][CH2:16][S:17]([CH3:19])=[O:18])=[O:12])[CH2:3][C:4]1[CH:5]=[CH:6][C:7]([OH:10])=[CH:8][CH:9]=1.[NH2:1][C@H:2]([C:11]([NH:13][C@@H:14]([C:20]([NH:22][CH2:23][C:24]([N:26]([CH3:42])[C@H:27]([C:35]([NH:37][NH:38][C:39]([CH3:41])=[O:40])=[O:36])[CH2:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)=[O:25])=[O:21])[CH2:15][CH2:16][S:17]([CH3:19])=[O:18])=[O:12])[CH2:3][C:4]1[CH:5]=[CH:6][C:7]([OH:10])=[CH:8][CH:9]=1 | 1 |
CC(CCC[C@H]([C@@H]1[C@]2(C)[C@H]([C@H]3[C@H](CC2)[C@]2(C)C(C[C@H](CC2)O)=CC3)CC1)C)C.[Cl-].[Cl-].[Ca+2].[CH:32]1[C:37]([C@@H:38]([OH:44])[C@H:39]([NH2:43])[C:40]([OH:42])=[O:41])=[CH:36][C:35]([OH:45])=[C:34]([OH:46])[CH:33]=1.CC(CCC[C@H]([C@@H]1[C@]2(C)[C@H]([C@H]3[C@H](CC2)[C@]2(C)C(C[C@H](CC2)O)=CC3)CC1)C)C.[Ca]>O>[CH:32]1[C:37]([C@@H:38]([OH:44])[C@H:39]([NH2:43])[C:40]([OH:42])=[O:41])=[CH:36][C:35]([OH:45])=[C:34]([OH:46])[CH:33]=1 | 1 |
ClC=1C(=CC=C2N=CC(=NC12)C=1C=NN(C1)CC(=O)N1CC(CC1)O)OC1=CC2=C(N=C(N2COCC[Si](C)(C)C)C)C=C1>C(=O)(C(F)(F)F)O>ClC=1C(=CC=C2N=CC(=NC12)C=1C=NN(C1)CC(=O)N1CC(CC1)O)OC=1C=CC2=C(NC(=N2)C)C1 | 3 |
C(=O)C=O.NC1=CC=C2C(C(N(C2=C1)C)=O)(C)C>CO[H].C=O.C(C)(=O)[O-].[NH4+]>N1(C=NC=C1)C1=CC=C2C(C(N(C2=C1)C)=O)(C)C | 3 |
[N+](=O)([O-])C1=CC=C(N)C=C1.C(CCC)(=O)CC(=O)OCC>C1(=CC=C(C=C1)S(=O)(=O)O)C>[N+](=O)([O-])C1=CC=C(C=C1)N/C(=C/C(=O)OCC)/CCC | 3 |
C([O:3][C:4]([C:6]1[CH:7]=[N:8][C:9]2[C:14]([CH:15]=1)=[CH:13][CH:12]=[C:11]([NH:16][C:17]([C:19]1[C:20]([C:25]3[CH:30]=[CH:29][C:28]([C:31]([F:34])([F:33])[F:32])=[CH:27][CH:26]=3)=[CH:21][CH:22]=[CH:23][CH:24]=1)=[O:18])[CH:10]=2)=[O:5])C.[OH-].[Na+]>CO.C1COCC1>[F:34][C:31]([F:32])([F:33])[C:28]1[CH:27]=[CH:26][C:25]([C:20]2[C:19]([C:17]([NH:16][C:11]3[CH:10]=[C:9]4[C:14]([CH:15]=[C:6]([C:4]([OH:5])=[O:3])[CH:7]=[N:8]4)=[CH:13][CH:12]=3)=[O:18])=[CH:24][CH:23]=[CH:22][CH:21]=2)=[CH:30][CH:29]=1 | 1 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([C:10]2[N:14]3[CH:15]=[CH:16][CH:17]=[CH:18][C:13]3=[N:12][C:11]=2[C:19]([F:22])([F:21])[F:20])=[CH:6][CH:5]=1)([O-])=O.Cl[Sn]Cl.[F:26][C:27]1[CH:28]=[C:29](C=C[C:35]=1[F:36])[C:30](Cl)=O.C(N(C(C)C)CC)(C)C.[CH2:46]([OH:48])[CH3:47]>O.C(Cl)Cl>[F:36][C:35]1[C:27]([F:26])=[CH:28][CH:29]=[CH:30][C:47]=1[C:46]([NH:1][C:4]1[CH:9]=[CH:8][C:7]([C:10]2[N:14]3[CH:15]=[CH:16][CH:17]=[CH:18][C:13]3=[N:12][C:11]=2[C:19]([F:22])([F:21])[F:20])=[CH:6][CH:5]=1)=[O:48] | 1 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([OH:10])=[C:6]([CH:9]=1)[CH:7]=[O:8].[CH3:11][O:12][C:13]1[CH:20]=[CH:19][C:16]([CH2:17]Cl)=[CH:15][CH:14]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C=O)C.CCOC(C)=O>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:10][CH2:17][C:16]2[CH:19]=[CH:20][C:13]([O:12][CH3:11])=[CH:14][CH:15]=2)=[C:6]([CH:9]=1)[CH:7]=[O:8] | 2 |
[F:1][C:2]1[CH:3]=[C:4]([C:13](=O)[CH2:14][O:15][CH3:16])[CH:5]=[CH:6][C:7]=1[O:8][C:9]([F:12])([F:11])[F:10].Cl.[NH2:19][OH:20].C(N(CC)CC)C>C(O)C>[F:1][C:2]1[CH:3]=[C:4]([C:13](=[N:19][OH:20])[CH2:14][O:15][CH3:16])[CH:5]=[CH:6][C:7]=1[O:8][C:9]([F:12])([F:11])[F:10] | 2 |
N1C2C=CC=CC=2N=C1C1[CH2:15][CH2:14][N:13]([CH2:16][CH2:17][CH:18]2[O:22][C:21](=[O:23])[C:20]([CH2:26][CH3:27])([CH2:24][CH3:25])[CH2:19]2)[CH2:12][CH2:11]1.[CH3:28][C:29]1[CH:30]=[CH:31][C:32]([N:35]2CCNCC2)=[N:33][CH:34]=1.N1(C2C=CC=CC=2C#N)CCNCC1.CC1C=CC(S(OCCC2CC3(CCCC3)C(=O)O2)(=O)=O)=CC=1.CC1C=CC(S(OCCC2CC(CC)(CC)C(=O)O2)(=O)=O)=CC=1>>[CH3:28][C:29]1[CH:30]=[CH:31][C:32]([N:35]2[CH2:11][CH2:12][N:13]([CH2:16][CH2:17][CH:18]3[CH2:19][C:20]4([CH2:24][CH2:25][CH2:27][CH2:26]4)[C:21](=[O:23])[O:22]3)[CH2:14][CH2:15]2)=[N:33][CH:34]=1 | 2 |
C(#N)CC(=O)O.CC=1C(=NC(=NC1)NC=1C=NN(C1)C)NC1CCC2(CCNC2)CC1>N(C)(C)C=O.ClCCl.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>CC=1C(=NC(=NC1)NC=1C=NN(C1)C)NC1CCC2(CCN(C2)C(CC#N)=O)CC1 | 3 |
C1(CC1)NC(=O)C=1N=NN(C1CO)C1=C(C=C(C=C1)C(=O)NCC)O>>C1(CC1)NC(=O)C=1N=NN2C1COC1=C2C=CC(=C1)C(=O)NCC | 5 |
FC1=NC=CC=C1B(O)O.COC(CCCCCNC=1C2=C(N=CN1)OC(=C2C2=CC=C(C=C2)OC)Br)=O>>FC1=NC=CC=C1C1=C(C2=C(N=CN=C2NCCCCCC(=O)OC)O1)C1=CC=C(C=C1)OC | 5 |
[C:1]1([C:7]2[NH:8][C:9]([C:11]3[C:16]([CH:17]=2)=[CH:15][CH:14]=[CH:13][CH:12]=3)=[O:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[H-].[Na+].[CH3:20][O:21][C:22]1[CH:23]=[C:24]([S:30](Cl)(=[O:32])=[O:31])[CH:25]=[CH:26][C:27]=1[O:28][CH3:29]>CN(C)C=O>[CH3:20][O:21][C:22]1[CH:23]=[C:24]([S:30]([N:8]2[C:7]([C:1]3[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=3)=[CH:17][C:16]3[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=3)[C:9]2=[O:10])(=[O:31])=[O:32])[CH:25]=[CH:26][C:27]=1[O:28][CH3:29] | 1 |
O[C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[C:5](O)[CH:6]=[C:7](S(O)(=O)=O)[CH:8]=2)[CH:3]=1.S([O-])(O)=O.[Na+].NCCCCCCCCN>O>[CH:8]1[C:9]2[C:4](=[CH:3][CH:2]=[CH:11][CH:10]=2)[CH:5]=[CH:6][CH:7]=1 | 1 |
[CH:1]1([C:4]2[CH:22]=[C:21]([C:23](=[O:29])[NH:24][S:25]([CH3:28])(=[O:27])=[O:26])[C:20]([F:30])=[CH:19][C:5]=2[O:6][CH2:7][CH:8]2[CH2:11][N:10]([C:12](OC(C)(C)C)=O)[CH2:9]2)[CH2:3][CH2:2]1.[F:31][C:32]1[CH:33]=[C:34]([CH:37]=[CH:38][C:39]=1[C:40]([F:43])([F:42])[F:41])C=O>>[CH:1]1([C:4]2[C:5]([O:6][CH2:7][CH:8]3[CH2:11][N:10]([CH2:12][C:34]4[CH:37]=[CH:38][C:39]([C:40]([F:42])([F:43])[F:41])=[C:32]([F:31])[CH:33]=4)[CH2:9]3)=[CH:19][C:20]([F:30])=[C:21]([CH:22]=2)[C:23]([NH:24][S:25]([CH3:28])(=[O:26])=[O:27])=[O:29])[CH2:2][CH2:3]1 | 2 |
[CH2:1]([C:5]1[CH:10]=[CH:9][C:8]([CH:11]([C:13]2[CH:14]=[C:15]3[C:20](=[CH:21][CH:22]=2)[N:19]=[CH:18][CH:17]=[CH:16]3)[OH:12])=[CH:7][C:6]=1[CH3:23])[CH2:2][CH2:3][CH3:4].O(C1C=C(C=CC=1)CNC(C1C=C2C(=CC=1)NC=C2)=O)C1C=CC=CC=1>C(Cl)(Cl)Cl.[O-2].[O-2].[Mn+4]>[CH2:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11]([C:13]2[CH:14]=[C:15]3[C:20](=[CH:21][CH:22]=2)[N:19]=[CH:18][CH:17]=[CH:16]3)=[O:12])=[CH:7][C:6]=1[CH3:23])[CH2:2][CH2:3][CH3:4] | 1 |
C(C=C)N.C1(CC1)C=O>>C1(CC1)CNCC=C | 5 |
ClCC(=O)Cl.NC1=C(C=C(C=C1)OC)O>>ClCC(=O)NC1=C(C=C(C=C1)OC)O | 5 |
C(C)=NC1CCCCC1.FC1=CC=C(C=C1)C1=C(C2CCC(C1)C2)C=O>O.C(C)OCC.C(C)(C)[N-]C(C)C.[Li+]>FC1=CC=C(C=C1)C1=C(C2CCC(C1)C2)C=CC=O | 3 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.COC=1C=C2C(=CC=NC2=CC1OC)OC1=C(C=C(N)C=C1)OC.S1C(=NC=C1)[C@@H](C)N>>COC=1C=C2C(=CC=NC2=CC1OC)OC1=C(C=C(C=C1)NC(=O)N[C@H](C)C=1SC=CN1)OC | 5 |
Cl[C:2]1[CH:7]=[C:6]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([CH3:14])[C:9]=2[CH3:15])[N:5]=[C:4]([NH2:16])[N:3]=1.[CH3:17][S:18]([C:21]1[CH:26]=[CH:25][C:24]([CH2:27][CH2:28][NH2:29])=[CH:23][CH:22]=1)(=[O:20])=[O:19].C(N(CC)C(C)C)(C)C.CO>C(O)CCC>[CH3:15][C:9]1[C:10]([CH3:14])=[CH:11][CH:12]=[CH:13][C:8]=1[C:6]1[N:5]=[C:4]([NH2:16])[N:3]=[C:2]([NH:29][CH2:28][CH2:27][C:24]2[CH:23]=[CH:22][C:21]([S:18]([CH3:17])(=[O:20])=[O:19])=[CH:26][CH:25]=2)[CH:7]=1 | 2 |
[CH:1]([N:4]([CH:18]([CH3:20])[CH3:19])[C:5]([N:7]1[C:11]2[CH:12]=[C:13]([CH3:17])[C:14]([CH3:16])=[CH:15][C:10]=2[N:9]=[CH:8]1)=[O:6])([CH3:3])[CH3:2].[Li]CCCC.Cl[P:27]([CH:31]([CH3:33])[CH3:32])[CH:28]([CH3:30])[CH3:29]>>[CH:28]([P:27]([CH:31]([CH3:33])[CH3:32])[C:8]1[N:7]([C:5]([N:4]([CH:1]([CH3:3])[CH3:2])[CH:18]([CH3:20])[CH3:19])=[O:6])[C:11]2[CH:12]=[C:13]([CH3:17])[C:14]([CH3:16])=[CH:15][C:10]=2[N:9]=1)([CH3:30])[CH3:29] | 2 |
O(CC)CC.[H-].[Al+3].[Li+].[H-].[H-].[H-].[F:12][C:13]1[CH:29]=[CH:28][C:16]([C:17]([C:19]2[CH:27]=[CH:26][CH:25]=[CH:24][C:20]=2[C:21](O)=[O:22])=[O:18])=[CH:15][CH:14]=1.[OH-].[Na+]>O>[F:12][C:13]1[CH:29]=[CH:28][C:16]([CH:17]([C:19]2[C:20]([CH2:21][OH:22])=[CH:24][CH:25]=[CH:26][CH:27]=2)[OH:18])=[CH:15][CH:14]=1 | 1 |
CN1CCNCC1.COC(=O)C=1C(=NC=2C=C3C(=CC2C1CCl)OCCO3)Cl>ClCCl>COC(=O)C=1C(=NC=2C=C3C(=CC2C1CN1CCN(CC1)C)OCCO3)Cl | 3 |
[C:1]([N:8]1[CH2:12][CH2:11][C@H:10]([OH:13])[C@H:9]1[C:14]([O:16][CH3:17])=[O:15])([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].I[CH3:19]>CN(C=O)C.CCOC(C)=O.[Ag-]=O>[C:1]([N:8]1[CH2:12][CH2:11][C@H:10]([O:13][CH3:19])[C@H:9]1[C:14]([O:16][CH3:17])=[O:15])([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2] | 2 |
Br[C:2]1[N:3]([C:22]2[C:31]3[C:26](=[CH:27][CH:28]=[CH:29][CH:30]=3)[C:25]([CH:32]3CC3)=[CH:24][CH:23]=2)[C:4]([S:7]CC(NC2C=CC(C(O)=O)=CC=2Cl)=O)=[N:5][N:6]=1.Cl.NNC(N)=N.C([N:44](C(C)C)CC)(C)C.CN(C)[CH:52]=[O:53]>>[NH2:44][C:2]1[N:3]([C:22]2[C:27]3[C:26](=[CH:31][CH:30]=[C:29]([O:53][CH3:52])[CH:28]=3)[C:25]([CH3:32])=[CH:24][CH:23]=2)[C:4]([SH:7])=[N:5][N:6]=1 | 1 |
CC1=NOC(=C1)C(=O)Cl.NC1=CC=C(C(=O)O)C=C1>C([O-])([O-])=O.[K+].[K+].CC(=O)C>C(=O)(O)C1=CC=C(C=C1)NC(=O)C1=CC(=NO1)C | 3 |
C(C)OC(=O)C=1N=C(SC1)C(C)NC(OC(C)(C)C)=O>O.C1CCCO1.O[Li].O>C(C)(C)(C)OC(NC(C)C=1SC=C(N1)C(=O)O)=O | 3 |
[OH:1][C:2]1[C:3]([C:12]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[O:13])=[N:4][C:5]2[C:10]([CH:11]=1)=[CH:9][CH:8]=[CH:7][CH:6]=2.Cl[C:21]1[C:30]2[C:25](=[CH:26][C:27]([O:33][CH3:34])=[C:28]([O:31][CH3:32])[CH:29]=2)[N:24]=[CH:23][CH:22]=1>CN(C)C1C=CN=CC=1.ClC1C=CC=CC=1Cl>[CH3:32][O:31][C:28]1[CH:29]=[C:30]2[C:25](=[CH:26][C:27]=1[O:33][CH3:34])[N:24]=[CH:23][CH:22]=[C:21]2[O:1][C:2]1[C:3]([C:12]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[O:13])=[N:4][C:5]2[C:10]([CH:11]=1)=[CH:9][CH:8]=[CH:7][CH:6]=2 | 1 |
C1(CCCCC1)N.OC1C(CCC1(C)C)=O>CCO[H].O.C1(=CC=C(C=C1)S(=O)(=O)O)C>C1(CCCCC1)NC(C(C(CO)(C)C)O)=O | 3 |
[CH3:1][C:2]1[Se:3][C:4]2[CH:10]=[CH:9][CH:8]=[CH:7][C:5]=2[N:6]=1.[Cl:11][C:12]1[CH:17]=[CH:16][C:15]([S:18]([O:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])(=[O:20])=[O:19])=[CH:14][CH:13]=1>>[Cl:11][C:12]1[CH:13]=[CH:14][C:15]([S:18]([O-:21])(=[O:19])=[O:20])=[CH:16][CH:17]=1.[CH3:1][C:2]1[Se:3][C:4]2[CH:10]=[CH:9][CH:8]=[CH:7][C:5]=2[N+:6]=1[CH2:39][CH2:38][CH2:37][CH2:36][CH2:35][CH2:34][CH2:33][CH2:32][CH2:31][CH2:30][CH2:29][CH2:28][CH2:27][CH2:26][CH2:25][CH2:24][CH2:23][CH3:22] | 1 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([N+:9]([O-])=O)=[CH:5][C:4]=1[N+:12]([O-])=O>CC#N>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([NH2:9])=[CH:5][C:4]=1[NH2:12] | 1 |
CN(C1(CCC(CC1)CC(=O)NCCCCCC1=CNC2=CC=CC=C12)C1=CC=CC=C1)C>>Cl.CN(C1(CCC(CC1)CC(=O)NCCCCCC1=CNC2=CC=CC=C12)C1=CC=CC=C1)C | 5 |
N[CH:2]([CH2:10][CH3:11])[C:3]([O:5][C:6]([CH3:9])([CH3:8])[CH3:7])=[O:4].[N:12]([CH:15]([CH2:21][CH2:22]Br)[C:16]([O:18][CH2:19][CH3:20])=[O:17])=[N+:13]=[N-:14].C([N:26](CC)CC)C>C(#N)C>[N:12]([CH:15]([CH2:21][CH2:22][NH:26][CH2:11][CH2:10][CH2:2][C:3]([O:5][C:6]([CH3:9])([CH3:8])[CH3:7])=[O:4])[C:16]([O:18][CH2:19][CH3:20])=[O:17])=[N+:13]=[N-:14] | 1 |
O=C1C(=CC=C2C=CC=CN12)C(=O)OCC>CO[H].[OH-].[Na+]>O=C1C(=CC=C2C=CC=CN12)C(=O)O | 3 |
[K+].C(#N)C=1N=C(N(C1)COCC[Si](C)(C)C)C(=O)[O-].CC1(CC=C(CC1)C1=C(C=CC(=C1)CCS(=O)(=O)N1CCOCC1)N)C>>CC1(CC=C(CC1)C1=C(C=CC(=C1)CCS(=O)(=O)N1CCOCC1)NC(=O)C=1N(C=C(N1)C#N)COCC[Si](C)(C)C)C | 5 |
ClC=1C=C(C(=O)Cl)C=CC1Cl.NCC1(CCCCC1)N(CC1=CC=CC=C1)C>C1=CC=CC=C1>ClC=1C=C(C(=O)NCC2(CCCCC2)N(CC2=CC=CC=C2)C)C=CC1Cl | 3 |
COC1=CC=C(C=C1)C1=[N+](C=CN=C1)[O-]>C1(=CC=CC=C1)C.N(C)(C)C=O.P(=O)(Cl)(Cl)Cl>ClC1=NC(=CN=C1)C1=CC=C(C=C1)OC | 3 |
[C:1](=[NH:8])([S:6][CH3:7])[NH:2][C:3]([NH2:5])=[O:4].[CH3:9][N:10]=[C:11]=[O:12]>C(Cl)Cl>[C:3]([N:2]=[C:1]([S:6][CH3:7])[NH:8][C:11]([NH:10][CH3:9])=[O:12])(=[O:4])[NH2:5] | 1 |
N1(CCOCC1)C1CCC(CC1)NC=1C=2C3=CC(=CC=C3SC2N=CN1)CC(=O)OCC>CCO[H].N>N1(CCOCC1)C1CCC(CC1)NC=1C=2C3=CC(=CC=C3SC2N=CN1)CC(=O)N | 3 |
C1(CC1)C(=O)Cl.NC1(COC1)COC1=CC=C(C=C1)C=1C=CC=2N(N1)C(=C(N2)C)C=2C=C(C(=NC2)N)C(F)(F)F>>NC1=C(C=C(C=N1)C1=C(N=C2N1N=C(C=C2)C2=CC=C(OCC1(COC1)NC(=O)C1CC1)C=C2)C)C(F)(F)F | 5 |
I[Si](C)(C)C.C(C1=CC=CC=C1)OC1=CC=C(C=C1)C1=CSC=2NC(C=C(C21)O)=O>ClCCl.ClN1C(CCC1=O)=O>ClC1=C(C2=C(NC(C(=C2O)Cl)=O)S1)C1=CC=C(C=C1)O | 3 |
BrCC(=O)C1=CC=CC=C1.CC1(C(N(C(N1)=O)C(=O)C1=CC=CC2=CC=CC=C12)=O)C>>CC1(C(N(C(N1CC(C1=CC=CC=C1)=O)=O)C(=O)C1=CC=CC2=CC=CC=C12)=O)C | 5 |
CC([O:4][C:5]1[CH:10]=[CH:9][C:8]([C:11]2[C:16](=O)[C:15]3[CH:18]=[CH:19][C:20]([O:22]C(C)=O)=[CH:21][C:14]=3[O:13][CH:12]=2)=[CH:7][CH:6]=1)=O.C([O-])=O.[NH4+]>[OH-].[OH-].[Pd+2].C(O)(=O)C>[CH2:16]1[C:15]2[CH:18]=[CH:19][C:20]([OH:22])=[CH:21][C:14]=2[O:13][CH2:12][CH:11]1[C:8]1[CH:9]=[CH:10][C:5]([OH:4])=[CH:6][CH:7]=1 | 1 |
[H-].[Na+].C([O:9][C:10]1[CH:15]=[C:14]([CH3:16])[C:13]([OH:17])=[C:12]([CH3:18])[C:11]=1[CH3:19])(=O)C(C)(C)C.[CH3:20][O:21][CH2:22]Cl>O1CCCC1>[CH3:20][O:21][CH2:22][O:17][C:13]1[C:14]([CH3:16])=[CH:15][C:10]([OH:9])=[C:11]([CH3:19])[C:12]=1[CH3:18] | 1 |
[CH2:1]([O:3][C:4](=[O:25])[C:5]1[CH:10]=[CH:9][C:8]([NH:11][C:12](=[O:24])[CH:13]([N:15]2[C:19]([NH2:20])=[C:18]([C:21](=[O:23])[NH2:22])[N:17]=[CH:16]2)[CH3:14])=[CH:7][CH:6]=1)[CH3:2].CO[C:28](OC)(OC)[CH2:29][CH2:30][CH2:31][CH3:32]>CN(C)C=O>[CH2:1]([O:3][C:4](=[O:25])[C:5]1[CH:10]=[CH:9][C:8]([NH:11][C:12](=[O:24])[CH:13]([N:15]2[CH:16]=[N:17][C:18]3[C:21](=[O:23])[NH:22][C:28]([CH2:29][CH2:30][CH2:31][CH3:32])=[N:20][C:19]2=3)[CH3:14])=[CH:7][CH:6]=1)[CH3:2] | 2 |
CS([O:5][CH2:6][C:7]1[CH:12]=[CH:11][C:10]([CH2:13][NH:14][C:15](=[O:30])[CH2:16][CH2:17][C:18]2[CH:23]=[CH:22][C:21]([O:24][CH2:25][C:26]#[CH:27])=[C:20]([O:28][CH3:29])[CH:19]=2)=[CH:9][CH:8]=1)(=O)=O.[Na].CO.O1CCC[CH2:35]1>C(OCC)(=O)C>[CH3:35][O:5][CH2:6][C:7]1[CH:12]=[CH:11][C:10]([CH2:13][NH:14][C:15](=[O:30])[CH2:16][CH2:17][C:18]2[CH:23]=[CH:22][C:21]([O:24][CH2:25][C:26]#[CH:27])=[C:20]([O:28][CH3:29])[CH:19]=2)=[CH:9][CH:8]=1 | 2 |
ClC1=CC=C(C=C1)C(C(=O)O)=O.FC1(OC2=C(O1)C=C(C(=C2)N)N)F>>ClC1=CC=C(C=C1)C=1C(NC=2C=C3C(=CC2N1)OC(O3)(F)F)=O | 5 |
C1(CCCCC1)C1=CC=CC2=C1OC1=C2C=CC=C1>>C1(CCCCC1)C1=CC=CC2=C1OC1=C2C=CC=C1I | 5 |
[CH:1]1([NH:7][C:8](=[C:11]([C:14]#[N:15])[C:12]#[N:13])SC)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.O.[NH2:17][NH2:18]>CCO>[NH2:13][C:12]1[NH:18][N:17]=[C:8]([NH:7][CH:1]2[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]2)[C:11]=1[C:14]#[N:15] | 1 |
[CH3:1][S:2]([C:4]1[S:8][C:7]([N:9]=[C:10]=[O:11])=[N:6][N:5]=1)=[O:3].[CH2:12]([NH:16][CH:17]([CH2:20][O:21][CH3:22])[CH:18]=[O:19])[CH2:13][CH2:14][CH3:15]>C1C=CC=CC=1>[CH2:12]([N:16]([CH:17]([CH2:20][O:21][CH3:22])[CH:18]=[O:19])[C:10]([NH:9][C:7]1[S:8][C:4]([S:2]([CH3:1])=[O:3])=[N:5][N:6]=1)=[O:11])[CH2:13][CH2:14][CH3:15] | 1 |
[N+:1]([C:4]1[CH:11]=[CH:10][C:7]([CH2:8]Br)=[CH:6][CH:5]=1)([O-:3])=[O:2].[Na].[NH:13]1[CH:17]=[N:16][CH:15]=[N:14]1.C(OCC)(=O)C.O>CN(C=O)C>[N+:1]([C:4]1[CH:11]=[CH:10][C:7]([CH2:8][N:13]2[CH:17]=[N:16][CH:15]=[N:14]2)=[CH:6][CH:5]=1)([O-:3])=[O:2] | 1 |
ClCC(=O)Cl.C(C)(C)(C)C1=CC=C(CN)C=C1>ClCCl.C([O-])([O-])=O.[K+].[K+]>ClCC(=O)NCC1=CC=C(C=C1)C(C)(C)C | 3 |
[F:1][C:2]1[C:12]([N:13]2[C:18](=[O:19])[CH:17]=[C:16]([C:20]([F:23])([F:22])[F:21])[NH:15][C:14]2=[O:24])=[CH:11][C:5]2[NH:6][C:7](=[O:10])[CH2:8][O:9][C:4]=2[CH:3]=1.[N+:25]([O-])([OH:27])=[O:26]>C(O)(=O)C>[F:1][C:2]1[C:12]([N:13]2[C:18](=[O:19])[CH:17]=[C:16]([C:20]([F:21])([F:22])[F:23])[NH:15][C:14]2=[O:24])=[C:11]([N+:25]([O-:27])=[O:26])[C:5]2[NH:6][C:7](=[O:10])[CH2:8][O:9][C:4]=2[CH:3]=1 | 1 |
[C:1]([CH:4]([OH:22])[C@H:5]1[O:9][C@@H:8]([N:10]2[CH:17]=[C:16](I)[C:14](=[O:15])[NH:13][C:11]2=[O:12])[CH2:7][C@@H:6]1[N:19]=[N+:20]=[N-:21])(=[O:3])[CH3:2].[C-]#N.[K+].CC([O-])=O.[K+].[N:31]([C@@H:34]1[C@@H](CO)O[C@@H](N2C=C(C)C(=S)NC2=O)C1)=[N+]=[N-]>CS(C)=O>[C:1]([CH:4]([OH:22])[C@H:5]1[O:9][C@@H:8]([N:10]2[CH:17]=[C:16]([C:34]#[N:31])[C:14](=[O:15])[NH:13][C:11]2=[O:12])[CH2:7][C@@H:6]1[N:19]=[N+:20]=[N-:21])(=[O:3])[CH3:2] | 1 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:13]=[C:14]([O:18][CH3:19])[C:15]=1[O:16][CH3:17])[CH2:6][N:7]1[CH2:11][CH2:10][CH2:9][C:8]1=[O:12].C([Li])(CC)C.[F:25][C:26]([F:36])([F:35])[C:27]1[CH:34]=[CH:33][C:30]([CH2:31]Br)=[CH:29][CH:28]=1.O>O1CCCC1.C(OCC)(=O)C.CCCCCC>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:13]=[C:14]([O:18][CH3:19])[C:15]=1[O:16][CH3:17])[CH2:6][N:7]1[CH2:11][CH2:10][CH:9]([CH2:31][C:30]2[CH:29]=[CH:28][C:27]([C:26]([F:25])([F:35])[F:36])=[CH:34][CH:33]=2)[C:8]1=[O:12] | 1 |
C(C)(C)(C)OC(=O)N1C[C@@H](CC1)O.CN(C(=O)\N=N\C(=O)N(C)C)C.BrC1=C(C2=CC(=CC=C2CC1)OC)C1=CC=C(C=C1)O>O.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.C(C)(=O)OCC>BrC1=C(C2=CC(=CC=C2CC1)OC)C1=CC=C(O[C@@H]2CN(CC2)C(=O)OC(C)(C)C)C=C1 | 3 |
C(C)NC(NC=1SC2=C(N1)C=C(C=C2NC(C2=NC=CC=C2)=O)C=2C=NC(=NC2)N2CCC(CC2)(C(=O)OCC)C)=O>>C(C)NC(NC=1SC2=C(N1)C=C(C=C2NC(C2=NC=CC=C2)=O)C=2C=NC(=NC2)N2CCC(CC2)(C(=O)O)C)=O | 5 |
ClC1=NC=NC=2NC3=CC(=C(C=C3C21)OC)C=2C(=NOC2C)C.CN1N=C2C(=C1N)CCC2>C1(=CC=CC=C1)C.CO[H].C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].P(=O)([O-])([O-])[O-].[K+].[K+].[K+].C=1C=CC(=CC1)P(C=2C=CC=CC2)C3=CC=C4C=CC=CC4=C3C5=C6C=CC=CC6=CC=C5P(C=7C=CC=CC7)C=8C=CC=CC8>CC1=NOC(=C1C1=C(C=C2C3=C(NC2=C1)N=C(N=C3NC3=C1C(=NN3C)CCC1)C)OC)C | 3 |
[NH2:1][C:2]1[C:3]2[N:4]([C:8]([C@H:12]3[CH2:32][N:16]4[C:17](=[O:31])[CH2:18][N:19](C(OCC5C=CC=CC=5)=O)[CH2:20][C@H:15]4[CH2:14][CH2:13]3)=[N:9][C:10]=2[Br:11])[CH:5]=[CH:6][N:7]=1>Br.CC(O)=O>[NH2:1][C:2]1[C:3]2[N:4]([C:8]([C@H:12]3[CH2:32][N:16]4[C:17](=[O:31])[CH2:18][NH:19][CH2:20][C@H:15]4[CH2:14][CH2:13]3)=[N:9][C:10]=2[Br:11])[CH:5]=[CH:6][N:7]=1 | 2 |
[C:1]([OH:10])(=[O:9])[C:2]1[C:3](=[CH:5][CH:6]=[CH:7][CH:8]=1)[OH:4].C(N(CC)CC)C.[C:18](=[O:26])([O:23][CH2:24][CH3:25])[O:19][CH:20](Cl)[CH3:21].CCOCC>C1(C)C=CC=CC=1.O>[C:1]([O:10][CH:20]([O:19][C:18]([O:23][CH2:24][CH3:25])=[O:26])[CH3:21])(=[O:9])[C:2]1[C:3](=[CH:5][CH:6]=[CH:7][CH:8]=1)[OH:4] | 1 |
C(=C)C1=CC=C(C(=O)O)C=C1.C(CCCCCCCCCCCCCCCCC)O>>C(=C)C1=CC=C(C(=O)OCCCCCCCCCCCCCCCCCC)C=C1 | 5 |
CC=1C=NC(=C(C1OC)C)C[S+](C=2NC=3C=CC(=CC3N2)OC)[O-]>CO[H].[OH-].[Na+]>CC=1C=NC(=C(C1OC)C)C[S+](C=2[N-]C=3C=CC(=CC3N2)OC)[O-].[Na+] | 3 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:9][C:10]([CH3:13])=[N:11][N:12]=2)=[CH:4][C:3]=1[C:14]1[CH:19]=[CH:18][C:17]([C:20]([OH:22])=O)=[CH:16][CH:15]=1.[F:23][C:24]1[CH:29]=[CH:28][C:27]([NH2:30])=[CH:26][CH:25]=1>>[F:23][C:24]1[CH:29]=[CH:28][C:27]([NH:30][C:20]([C:17]2[CH:16]=[CH:15][C:14]([C:3]3[CH:4]=[C:5]([C:8]4[O:9][C:10]([CH3:13])=[N:11][N:12]=4)[CH:6]=[CH:7][C:2]=3[CH3:1])=[CH:19][CH:18]=2)=[O:22])=[CH:26][CH:25]=1 | 1 |
COC([C@@H](NC([C@H](NC(C(C)C1C(C(CN(CC1)[C@H](C)NC([C@@H](NC(=O)OC(C)(C)C)C)=O)CC1=CC=CC=C1)O[Si](C)(C)C(C)(C)C)=O)C(C)C)=O)C(C)C)=O>C1CCCO1.C(C)OCC.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>COC([C@@H](NC([C@H](NC(C(C)C1C(C(CN(CC1)[C@H](C)NC([C@@H](NC(=O)OC(C)(C)C)C)=O)CC1=CC=CC=C1)O)=O)C(C)C)=O)C(C)C)=O | 3 |
O.Cl.C(C1=CC=CC=C1)(=O)N1CC(CCC1)(C1=CC(=C(C=C1)Cl)Cl)CCCN1CCC(CC1)(C#N)CC1=CC=CC=C1>CCO[H].Cl.[HH].[Ni]>O.Cl.Cl.NCC1(CCN(CC1)CCCC1(CN(CCC1)C(C1=CC=CC=C1)=O)C1=CC(=C(C=C1)Cl)Cl)CC1=CC=CC=C1.NCC1(CCN(CC1)CCCC1(CN(CCC1)C(C1=CC=CC=C1)=O)C1=CC(=C(C=C1)Cl)Cl)CC1=CC=CC=C1.Cl.Cl | 3 |
[NH:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[CH2:10][NH:11][CH:12]1[C:21]2[N:20]=[CH:19][CH:18]=[CH:17][C:16]=2[CH2:15][CH2:14][CH2:13]1.C=O.[C:24](O)(=O)C.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+].C([O-])([O-])=O.[Na+].[Na+]>ClCCCl.ClCCl>[NH:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[CH2:10][N:11]([CH3:24])[CH:12]1[C:21]2[N:20]=[CH:19][CH:18]=[CH:17][C:16]=2[CH2:15][CH2:14][CH2:13]1 | 2 |
[F:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:9][CH2:10][CH:11]1[C:20]2[C:15](=[CH:16][C:17]([O:23][CH3:24])=[C:18]([O:21][CH3:22])[CH:19]=2)[CH2:14][CH2:13][NH:12]1.Br[CH:26]([C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1)[C:27]([O:29]C)=[O:28]>>[F:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:9][CH2:10][CH:11]1[C:20]2[C:15](=[CH:16][C:17]([O:23][CH3:24])=[C:18]([O:21][CH3:22])[CH:19]=2)[CH2:14][CH2:13][N:12]1[CH:26]([C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1)[C:27]([OH:29])=[O:28] | 2 |
C(C)N(C(C1=C(C=CC=C1)OC)=O)CC>N(C)(C)C=O.C1CCCO1.CN(CCN(C)C)C.C(C)(CC)[Li]>C(C)N(C(C1=C(C=CC=C1OC)C=O)=O)CC | 3 |
[Na].C(O)C.[C:5](=[O:12])([O:9][CH2:10][CH3:11])OCC.[CH2:13]([N:15]1[C:23]2[C:18](=[CH:19][C:20]([C:24](=[O:31])[C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=3)=[CH:21][CH:22]=2)[CH2:17][C:16]1=[O:32])[CH3:14]>[Cl-].[Na+].O.C(Cl)Cl>[CH2:13]([N:15]1[C:23]2[C:18](=[CH:19][C:20]([C:24](=[O:31])[C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=3)=[CH:21][CH:22]=2)[CH:17]([C:5]([O:9][CH2:10][CH3:11])=[O:12])[C:16]1=[O:32])[CH3:14] | 1 |
I[C:2]1[CH:7]=[CH:6][C:5]([O:8][CH2:9][O:10][CH3:11])=[CH:4][CH:3]=1.C(N(CC)CC)C.[CH3:19][Si:20]([C:23]#[CH:24])([CH3:22])[CH3:21]>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)I.O.C(OCC)(=O)C>[CH3:19][Si:20]([CH3:22])([CH3:21])[C:23]#[C:24][C:2]1[CH:7]=[CH:6][C:5]([O:8][CH2:9][O:10][CH3:11])=[CH:4][CH:3]=1 | 1 |
ClC1=C2C(=NC=C1)NC=C2.[N+](=O)([O-])C=1C=C(C=CC1[N+](=O)[O-])O>ClCCl.[OH-].[Na+]>[N+](=O)([O-])C=1C=C(OC2=C3C(=NC=C2)NC=C3)C=CC1[N+](=O)[O-] | 3 |
[CH:1]([C@H:4]1[C:9](=[O:10])[NH:8][C:7]2[CH:11]=[CH:12][CH:13]=[C:14]([CH:15]([CH3:17])[CH3:16])[C:6]=2[O:5]1)([CH3:3])[CH3:2].[H-].[Na+].Br[CH2:21][C:22]([O:24][CH3:25])=[O:23]>CN(C)C=O.O>[CH:1]([C@H:4]1[C:9](=[O:10])[N:8]([CH2:21][C:22]([O:24][CH3:25])=[O:23])[C:7]2[CH:11]=[CH:12][CH:13]=[C:14]([CH:15]([CH3:17])[CH3:16])[C:6]=2[O:5]1)([CH3:3])[CH3:2] | 1 |
CC(CO)(C)N.C(C)OC=1C(=NC=CC1)F>O.C1CCCO1.[H-].[Na+]>C(C)OC=1C(=NC=CC1)OCC(C)(N)C | 3 |
BrC1=C(C=C(C=C1)CCBr)F>CC#N.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.C[Si](C)(C)C#N>BrC1=C(C=C(C=C1)CCC#N)F | 3 |
FC(OC=1C=C(C=CC1OC(F)F)N(C=1C=C(C=CC1)C1C(NC(N1)=O)=O)CC=1C=NC=CC1)F>>FC(OC=1C=C(C=CC1OC(F)F)N(C=1C=C(C=CC1)C1NC(NC1)=O)CC=1C=NC=CC1)F | 5 |
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