smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[NH2:1][C:2]1[C:3]([O:17][CH3:18])=[CH:4][C:5]([O:15][CH3:16])=[C:6]([C:8](=[O:14])[CH2:9][CH2:10][CH2:11][CH2:12][Cl:13])[CH:7]=1.[F:19][C:20]([F:32])([F:31])[C:21]1[CH:26]=[CH:25][C:24]([S:27](Cl)(=[O:29])=[O:28])=[CH:23][CH:22]=1>C1COCC1>[Cl:13][CH2:12][CH2:11][CH2:10][CH2:9][C:8]([C:6]1[C:5]([O:15][CH3:16])=[CH:4][C:3]([O:17][CH3:18])=[C:2]([NH:1][S:27]([C:24]2[CH:23]=[CH:22][C:21]([C:20]([F:19])([F:31])[F:32])=[CH:26][CH:25]=2)(=[O:29])=[O:28])[CH:7]=1)=[O:14] | 1 |
[F:1]C(F)(F)C1C=C(C=CC=1)C=O.[CH3:13][CH:14]([CH3:33])[CH:15]([C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)[C:16]([NH:18][C@@H:19]1[C@@H:26]2[C@@H:22]([CH2:23][NH:24][CH2:25]2)[CH2:21][CH2:20]1)=[O:17].[CH:34]1([CH:40](C2CCCCC2)C(N[C@@H]2[C@H]3[C@H](CNC3)CC2)=O)[CH2:39][CH2:38][CH2:37][CH2:36][CH2:35]1>>[F:1][C:36]1[CH:35]=[C:34]([CH:39]=[CH:38][CH:37]=1)[CH2:40][N:24]1[CH2:25][C@@H:26]2[C@@H:19]([NH:18][C:16](=[O:17])[CH:15]([C:27]3[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=3)[CH:14]([CH3:33])[CH3:13])[CH2:20][CH2:21][C@@H:22]2[CH2:23]1 | 1 |
[C:1]1([S:7]([C:10]2[C:18]3[C:13](=[CH:14][CH:15]=[C:16]([Cl:19])[CH:17]=3)[NH:12][C:11]=2[C:20](O)=[O:21])(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH3:23][N:24]1[CH:31]=[N:30][C:26]([CH2:27][CH2:28][NH2:29])=[CH:25]1>>[CH3:23][N:24]1[CH:25]=[C:26]([CH2:27][CH2:28][NH:29][C:20]([C:11]2[NH:12][C:13]3[C:18]([C:10]=2[S:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)(=[O:8])=[O:9])=[CH:17][C:16]([Cl:19])=[CH:15][CH:14]=3)=[O:21])[N:30]=[CH:31]1 | 1 |
[O:1]1[C:5]2=[N:6][CH:7]=[CH:8][CH:9]=[C:4]2[C:3]([C:10]([OH:12])=[O:11])=[CH:2]1.[CH3:13]CN=C=NCCCN(C)C.Cl.CO>C(Cl)Cl.CN(C1C=CN=CC=1)C>[CH3:13][O:11][C:10]([C:3]1[C:4]2[C:5](=[N:6][CH:7]=[CH:8][CH:9]=2)[O:1][CH:2]=1)=[O:12] | 1 |
Br[C:2]1[S:3][C:4]([C:7]2[CH:12]=[CH:11][C:10]([Br:13])=[CH:9][C:8]=2[Cl:14])=[N:5][N:6]=1.BrC1S[C:19]([N:21](C)[CH:22]2[CH2:27][C:26]([CH3:29])([CH3:28])[NH:25][C:24]([CH3:31])([CH3:30])[CH2:23]2)=NN=1>CN1C(=O)CCC1.C(Cl)Cl>[Br:13][C:10]1[CH:11]=[CH:12][C:7]([C:4]2[S:3][C:2]([N:21]([CH3:19])[CH:22]3[CH2:23][C:24]([CH3:30])([CH3:31])[NH:25][C:26]([CH3:29])([CH3:28])[CH2:27]3)=[N:6][N:5]=2)=[C:8]([Cl:14])[CH:9]=1 | 1 |
COC(C(C)C1=CC=C(C=C1)N(C)C1=CC=C(C=C1)OCC1=CC=CC=C1)=O>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(C1=CC=CC=C1)OC1=CC=C(C=C1)N(C1=CC=C(C=C1)C(CO)C)C | 3 |
C(C1=CC=CC=C1)OCCCCCCCCCCCC=C[C@@H]1CC[C@H](CC1)C1=C(C(=CC=C1)F)F>CCO[H].C(C)(=O)OCC.[Pd]C>OCCCCCCCCCCCCC[C@@H]1CC[C@H](CC1)C1=C(C(=CC=C1)F)F | 3 |
[C:1]([O:5][C:6](=[O:21])[NH:7][C@H:8]([C:10]1[CH:15]=[CH:14][C:13]([C:16](=[O:20])[CH2:17][NH:18][CH3:19])=[CH:12][CH:11]=1)[CH3:9])([CH3:4])([CH3:3])[CH3:2].[CH:22](=O)[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C(=O)([O-])O.[Na+]>C(Cl)(Cl)Cl>[C:1]([O:5][C:6](=[O:21])[NH:7][C@H:8]([C:10]1[CH:11]=[CH:12][C:13]([C:16](=[O:20])[CH2:17][N:18]([CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)[CH3:19])=[CH:14][CH:15]=1)[CH3:9])([CH3:2])([CH3:4])[CH3:3] | 1 |
FC=1C(=C(C(=CC1)F)[C@H]1[C@H]2COC([C@@H]12)=O)OC>>BrC[C@@H]1[C@@H]2C(OC=3C(=CC=C(C3[C@@H]21)F)F)=O | 5 |
[CH3:1][C:2]1[N:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4](Cl)=[O:5].CCN(C(C)C)C(C)C.[NH2:20][C:21]1[CH:29]=[CH:28][C:24]([C:25]([OH:27])=[O:26])=[CH:23][C:22]=1[OH:30]>C(Cl)Cl.C1COCC1.C(OCC)(=O)C>[OH:30][C:22]1[CH:23]=[C:24]([CH:28]=[CH:29][C:21]=1[NH:20][C:4]([C:3]1[C:2]([CH3:1])=[N:10][CH:9]=[CH:8][CH:7]=1)=[O:5])[C:25]([OH:27])=[O:26] | 1 |
C[Si](C)(C)C=[N+]=[N-].C(=O)(OC(C)(C)C)N1[C@H](C(=O)O)[C@@H](CC1)O>CO[H]>COC(=O)[C@H]1N(CC[C@H]1O)C(=O)OC(C)(C)C | 3 |
C[Mg]Br.CCOCC.ClC=1C=C(C=CC1C#N)N1N=C(C(=C1C)C(C(=O)NC1=CC=C(C=C1)F)=O)C>>ClC=1C=C(C=CC1C#N)N1N=C(C(=C1C)C(C(=O)NC1=CC=C(C=C1)F)(C)O)C | 5 |
C(C)(C)(C)OC(=O)NC=1SC=C(N1)/C(/C(N[C@@H]1C(NOC1)=O)=O)=N/OC(C(=O)OC(C)(C)C)(C)C.C(C)(C)(C)OC(C(C[C@H](C(=O)O)N1C(C=2C=C3C(=CC2C1=O)OC(O3)(C3=CC=CC=C3)C3=CC=CC=C3)=O)=O)=O>C1CCCO1.C1(=CC=NC=C1)N(C)C.C1(CCCCC1)N=C=NC1CCCCC1>C(C)(C)(C)OC(=O)C1(OC([C@@H](C1)N1C(C=2C=C3C(=CC2C1=O)OC(O3)(C3=CC=CC=C3)C3=CC=CC=C3)=O)=O)N3OC[C@@H](C3=O)NC(\C(=N/OC(C(=O)OC(C)(C)C)(C)C)\C=3N=C(SC3)NC(=O)OC(C)(C)C)=O | 3 |
[CH3:1][S:2]([C:11]1[CH:16]=[CH:15][C:14]([CH2:17][CH2:18][C:19]([O:21][CH3:22])=[O:20])=[CH:13][CH:12]=1)(=[N:4]C(=O)C(F)(F)F)=[O:3].C([O-])([O-])=O.[K+].[K+]>CO>[CH3:1][S:2]([C:11]1[CH:12]=[CH:13][C:14]([CH2:17][CH2:18][C:19]([O:21][CH3:22])=[O:20])=[CH:15][CH:16]=1)(=[NH:4])=[O:3] | 1 |
Cl[C:2]1[N:11]=[C:10]([NH:12][CH2:13][CH:14]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[C:15]2[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=2)[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N:3]=1.CC1(C)C(C)(C)OB([C:35]2[CH:36]=[C:37]3[C:41](=[CH:42][CH:43]=2)[N:40]([C:44]([O:46][C:47]([CH3:50])([CH3:49])[CH3:48])=[O:45])[CH2:39][CH2:38]3)O1.C(NC1C2C(=CC=CC=2)N=C(C2SC3C=CC=CC=3C=2)N=1)(C1C=CC=CC=1)C1C=CC=CC=1>C1CCCCC1.CCOC(C)=O>[C:15]1([CH:14]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[CH2:13][NH:12][C:10]2[C:9]3[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=3)[N:3]=[C:2]([C:35]3[CH:36]=[C:37]4[C:41](=[CH:42][CH:43]=3)[N:40]([C:44]([O:46][C:47]([CH3:50])([CH3:49])[CH3:48])=[O:45])[CH2:39][CH2:38]4)[N:11]=2)[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1 | 2 |
[C:1]1([CH:7]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[C:8](Cl)=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[N:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1.C(N)CCCC>ClCCl>[CH2:18]([NH:17][C:8](=[O:9])[CH:7]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1)[CH2:19][CH2:20][CH2:21][CH3:22] | 1 |
C(#N)C1=C2CCC(C2=CC=C1)=N[S@](=O)C(C)(C)C>>C(#N)C1=C2CC[C@H](C2=CC=C1)N[S@](=O)C(C)(C)C | 5 |
CCCCCCC.C(C)(=O)OC(=C)C(F)(F)F>>C(C)(=O)OC(C[Si](Cl)(Cl)Cl)C(F)(F)F | 5 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)OC[C@@H]1C(C[C@@H](O1)N1C(=O)NC(=O)C(C)=C1)=C>O.c1ccncc1.C[N+]1(CCOCC1)[O-].C(C)(C)(C)O.[Os](=O)(=O)(=O)=O>OC[C@@]1(C[C@@H](O[C@@H]1COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)N1C(=O)NC(=O)C(C)=C1)O | 3 |
[N+:1]([C:4]1[CH:5]=[C:6]([C:10]([C:12]2[CH:20]=[C:19]3[C:15]([C:16]([CH:29]=[CH:30][C:31]4[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=4)=[N:17][N:18]3COCC[Si](C)(C)C)=[CH:14][CH:13]=2)=[O:11])[CH:7]=[CH:8][CH:9]=1)([O-])=O.NC1C=C(C(C2C=C3C(C(C=CC4C=CC=CC=4)=NN3COCC[Si](C)(C)C)=CC=2)=O)C=CC=1>>[NH2:1][C:4]1[CH:5]=[C:6]([C:10]([C:12]2[CH:20]=[C:19]3[C:15]([C:16]([CH:29]=[CH:30][C:31]4[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=4)=[N:17][NH:18]3)=[CH:14][CH:13]=2)=[O:11])[CH:7]=[CH:8][CH:9]=1 | 1 |
FC=1C(=C(C(=O)O)C=CC1[N+](=O)[O-])C(F)(F)F>N(C)(C)C=O.ClCCl.[Al](Cl)(Cl)Cl.C1=CC=CC=C1.C(C(=O)Cl)(=O)Cl>FC=1C(=C(C=CC1[N+](=O)[O-])C(=O)C1=CC=CC=C1)C(F)(F)F | 3 |
C(C)(C)C1=C(N)C(=CC=C1)C(C)C.C1(CCCCC1)NCC1=C(C2=CC=CC=C2C=C1)C1=CC=CC(=N1)C=O>CCO[H].C1(=CC=C(C=C1)S(=O)(=O)O)C>C1(CCCCC1)NCC1=C(C2=CC=CC=C2C=C1)C1=CC=CC(=N1)\C=N\C1=C(C=CC=C1C(C)C)C(C)C | 3 |
BrC1=C(C=C(C=C1)S(=O)(=O)Cl)C>C1CCCO1.N>BrC1=C(C=C(C=C1)S(=O)(=O)N)C | 3 |
C(OC(=O)[NH:7][C@@H:8]([C:11]1[CH:16]=[CH:15][C:14]([Cl:17])=[C:13]([C:18](=[O:34])[C:19]2[CH:24]=[CH:23][C:22]([C:25](C)(C)[O:26][SiH2]C(C)(C)C)=[CH:21][CH:20]=2)[C:12]=1[F:35])[CH2:9][CH3:10])(C)(C)C.N[C@@H](C1C(F)=[C:43]([C:48](C2C=CC(CO)=CC=2)=[O:49])C(Cl)=CC=1)CC>>[NH2:7][C@@H:8]([C:11]1[C:12]([F:35])=[C:13]([C:14]([Cl:17])=[CH:15][CH:16]=1)[C:18]([C:19]1[CH:20]=[CH:21][C:22]([CH2:25][O:26][C:48](=[O:49])[CH3:43])=[CH:23][CH:24]=1)=[O:34])[CH2:9][CH3:10] | 1 |
FC1=CC(=C(C=C1)N)N.O=C1C=2N(C3=C(C=CC=C13)C(=O)O)C=CC2>C1CCCO1.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>NC1=C(C=CC(=C1)F)NC(=O)C=1C=CC=C2C(C=3N(C12)C=CC3)=O | 3 |
N(C1=CC=CC=C1)C1=NC(=NC=C1C(=O)O)SC>N(C)(C)C=O.N.O.ON1N=NC2=C1C=CC=C2.CCN=C=NCCCN(C)C>N(C1=CC=CC=C1)C1=NC(=NC=C1C(=O)N)SC | 3 |
[CH3:1][C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[C:5]([CH3:12])[CH:6]=[CH:7][CH:8]=2)[N:3]=1.[Br:13]N1C(=O)CCC1=O>C(Cl)(Cl)(Cl)Cl.C(OOC(=O)C1C=CC=CC=1)(=O)C1C=CC=CC=1>[Br:13][CH2:12][C:5]1[CH:6]=[CH:7][CH:8]=[C:9]2[C:4]=1[N:3]=[C:2]([CH3:1])[CH:11]=[CH:10]2 | 1 |
O1C(=CC2=C1C=CC=C2)C2=CN=C1N2N=C(C=C1)Cl.Cl.N1C[C@H](CC1)CO>>O1C(=CC2=C1C=CC=C2)C2=CN=C1N2N=C(C=C1)N1C[C@H](CC1)CO | 5 |
O=C1N(C=CC=C1)C1=CC=C(C(=O)OCC)C=C1>>O=C1N(C=CC=C1)C1=CC=C(C(=O)O)C=C1 | 5 |
C(CC(=O)OCC)(=O)OCC.C1(CCC1)=O>>C1(CCC1)=C(C(=O)OCC)C(=O)OCC | 5 |
C(C)OC([C@H]1N(CCC1)C(C1=C(C=C(C(=C1)OC)OCCCCBr)[N+](=O)[O-])=O)SCC.OC1=CC2=C(C(N3[C@H](CN2)CCC3)=O)C=C1OC>>C(C)OC([C@H]1N(CCC1)C(C1=C(C=C(C(=C1)OC)OCCCCOC1=CC2=C(C(N3[C@H](CN2)CCC3)=O)C=C1OC)[N+](=O)[O-])=O)SCC | 5 |
FC(C1=C(CN2CCC(CC2)\C=C/2\C(=NC(S2)=O)NCCOCCO)C=CC(=C1)C(F)(F)F)(F)F>Cl.COC(C)(C)C>Cl.FC(C1=C(CN2CCC(CC2)\C=C/2\C(=NC(S2)=O)NCCOCCO)C=CC(=C1)C(F)(F)F)(F)F | 3 |
C1C=C(Cl)C=C(C(OO)=[O:9])C=1.[CH:12]1([NH:15][C:16]([C:18]2[CH:19]=[C:20]([F:39])[C:21]([CH3:38])=[C:22]([C:24]3[N:29]=[CH:28][C:27]([C:30]([NH:32][C@@H:33]([CH3:37])[CH:34]([CH3:36])[CH3:35])=[O:31])=[CH:26][CH:25]=3)[CH:23]=2)=[O:17])[CH2:14][CH2:13]1>C(Cl)(Cl)Cl.CO>[CH:12]1([NH:15][C:16]([C:18]2[CH:19]=[C:20]([F:39])[C:21]([CH3:38])=[C:22]([C:24]3[N+:29]([O-:9])=[CH:28][C:27]([C:30]([NH:32][C@@H:33]([CH3:37])[CH:34]([CH3:35])[CH3:36])=[O:31])=[CH:26][CH:25]=3)[CH:23]=2)=[O:17])[CH2:14][CH2:13]1 | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][CH:10]([N:13]2[C:17]3[CH:18]=[CH:19][C:20]([Cl:22])=[CH:21][C:16]=3[N:15]=[C:14]2[CH2:23]Cl)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH3:25][S:26]([C:29]1[C:37]2[C:32](=[CH:33][N:34]=[CH:35][CH:36]=2)[NH:31][N:30]=1)(=[O:28])=[O:27]>>[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][CH:10]([N:13]2[C:17]3[CH:18]=[CH:19][C:20]([Cl:22])=[CH:21][C:16]=3[N:15]=[C:14]2[CH2:23][N:31]2[C:32]3=[CH:33][N:34]=[CH:35][CH:36]=[C:37]3[C:29]([S:26]([CH3:25])(=[O:27])=[O:28])=[N:30]2)[CH2:9]1)=[O:7])([CH3:2])([CH3:3])[CH3:4] | 1 |
CS(=O)(=O)Cl.NC1=NC=C(C2=C1C(=CS2)C2=CC(=C(C=C2)NC(=O)C=2N(C1=CC=CC=C1C2)C)OC)C(=O)NC2CNCCC2>ClCCl.C(C)(C)N(C(C)C)CC>NC1=NC=C(C2=C1C(=CS2)C2=CC(=C(C=C2)NC(=O)C=2N(C1=CC=CC=C1C2)C)OC)C(=O)NC2CN(CCC2)S(=O)(=O)C | 3 |
NC1=CC=C(C(=O)N(C)C)C=C1.ClC=1N=NC(=C(N1)NCC1=C(C(=CC=C1)F)F)Cl>C1(=CC=C(C=C1)S(=O)(=O)O)C.CN1C(CCC1)=O>ClC1=C(N=C(N=N1)NC1=CC=C(C(=O)N(C)C)C=C1)NCC1=C(C(=CC=C1)F)F | 3 |
[CH2:1]([O:4][C@H:5]1[CH2:10][CH2:9][C@H:8]([N:11]2[CH2:16][CH2:15][CH:14]([NH:17]C(=O)OC(C)(C)C)[CH2:13][CH2:12]2)[CH2:7][CH2:6]1)[CH2:2][CH3:3].[ClH:25]>C(OCC)C>[ClH:25].[ClH:25].[CH2:1]([O:4][C@H:5]1[CH2:6][CH2:7][C@H:8]([N:11]2[CH2:12][CH2:13][CH:14]([NH2:17])[CH2:15][CH2:16]2)[CH2:9][CH2:10]1)[CH2:2][CH3:3] | 2 |
C[C@@H]1CC[C@H](CC1)NC(=O)[C@H]1[C@@H](C1)CO>C1(=CC=NC=C1)N(C)C.ClCCl.O=S(=O)(O)C.CCN(CC)CC>C[C@@H]1CC[C@H](CC1)NC(=O)[C@H]1[C@@H](C1)COS(=O)(=O)C | 3 |
[CH:1]1([S:4]([N:7]2[CH:11]=[C:10]([C:12]3[N:17]=[C:16]([NH:18][C:19]4[N:24]=[CH:23][C:22]5[N:25]=[C:26]([CH3:31])[N:27]([CH:28]([CH3:30])[CH3:29])[C:21]=5[CH:20]=4)[CH:15]=[CH:14][N:13]=3)[CH:9]=[N:8]2)(=[O:6])=[O:5])[CH2:3][CH2:2]1.I(C1C=CC=CC=1C(O)=O)(=O)=[O:33].CS(C)=O>O>[CH:1]1([S:4]([N:7]2[CH:11]=[C:10]([C:12]3[N:17]=[C:16]([NH:18][C:19]4[N:24]=[CH:23][C:22]5[N:25]=[C:26]([CH:31]=[O:33])[N:27]([CH:28]([CH3:29])[CH3:30])[C:21]=5[CH:20]=4)[CH:15]=[CH:14][N:13]=3)[CH:9]=[N:8]2)(=[O:6])=[O:5])[CH2:3][CH2:2]1 | 2 |
C(C)(C)(C)C=1C=C2C=NN(C(C2=C(C1)F)=O)C1=C(COC(C)=O)C(=CC=C1)C1=NN(C(C(=C1)NC1=NC=C(C=C1)CN1CC(C1)OC)=O)C>>C(C)(C)(C)C=1C=C2C=NN(C(C2=C(C1)F)=O)C1=C(C(=CC=C1)C1=NN(C(C(=C1)NC1=NC=C(C=C1)CN1CC(C1)OC)=O)C)CO | 5 |
S(=O)(=O)(N)N.C(C)(C)(C)OC(NC1=CC=C(C=C1)C(CN)CN)=O>c1ccncc1>C(C)(C)(C)OC(NC1=CC=C(C=C1)C1CNS(NC1)(=O)=O)=O | 3 |
ClC1=CC=C(C=C1)C(C)O>[Cu]I.N(C)(C)C=O.CC(C)(C)[O-].[K+].CC1(N(C(CCC1)(C)C)[O])C.N1[C@H](C(=O)O)CCC1>ClC1=CC=C(C=C1)C(C)=O | 3 |
C(C)(C)(C)O.CN1CCN(CC1)C=1C=CC(=NC1)N.CS(=O)C1=NN2C(C=N1)=CC=C2C2=C(C=CC=C2)OC>C(C)(C)N(C(C)C)CC.[F-].[Cs+]>COC1=C(C=CC=C1)C1=CC=C2C=NC(=NN21)NC2=NC=C(C=C2)N2CCN(CC2)C | 3 |
[C:1]([O:4][C@@H:5]1[C@@H:10]([O:11][C:12](=[O:14])[CH3:13])[C@@H:9]([O:15][C:16](=[O:18])[CH3:17])[C@@H:8]([CH2:19][O:20][C:21](=[O:23])[CH3:22])[O:7][C@@H:6]1Br)(=[O:3])[CH3:2].[FH:25].[F-].[K+]>C(#N)C>[C:1]([O:4][C@@H:5]1[C@@H:10]([O:11][C:12](=[O:14])[CH3:13])[C@@H:9]([O:15][C:16](=[O:18])[CH3:17])[C@@H:8]([CH2:19][O:20][C:21](=[O:23])[CH3:22])[O:7][C@H:6]1[F:25])(=[O:3])[CH3:2] | 1 |
ClC1=C2N=C(C=NC2=CC=C1OC=1C=CC2=C(N(C(=N2)C)COCC[Si](C)(C)C)C1)C=1C=NNC1.FC(C1=CC=C(C=C1)S(=O)(=O)OC1C(CC1)OCC1=CC=CC=C1)(F)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)OC1C(CC1)N1N=CC(=C1)C=1C=NC2=CC=C(C(=C2N1)Cl)OC=1C=CC2=C(N(C(=N2)C)COCC[Si](C)(C)C)C1 | 3 |
ClC=1C=C(C(=O)Cl)C=CC1F.N1C=CC=2C1=CN=C(C2)N>>ClC=1C=C(C(=O)NC=2C=C3C(=CN2)NC=C3)C=CC1F | 3 |
[Br:1][C:2]1[CH:12]=[C:11]([CH3:13])[CH:10]=[CH:9][C:3]=1[O:4][CH2:5][C:6]([OH:8])=O.[CH:14]([NH:17][NH:18][C:19](=[O:26])[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)([CH3:16])[CH3:15].C(N(C(C)C)CC)(C)C.C1CN([P+](Br)(N2CCCC2)N2CCCC2)CC1.F[P-](F)(F)(F)(F)F>CN(C=O)C>[Br:1][C:2]1[CH:12]=[C:11]([CH3:13])[CH:10]=[CH:9][C:3]=1[O:4][CH2:5][C:6]([N:17]([CH:14]([CH3:16])[CH3:15])[NH:18][C:19](=[O:26])[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)=[O:8] | 1 |
[Cl:1][C:2]1[CH:28]=[CH:27][C:5]([CH2:6][N:7]2[C:15]3[C:10](=[CH:11][C:12]([CH:16]=[C:17]4[S:21][C:20](SCCC)=[N:19][C:18]4=[O:26])=[CH:13][CH:14]=3)[CH:9]=[N:8]2)=[C:4]([C:29]([F:32])([F:31])[F:30])[CH:3]=1.[C:33]1(=[O:41])[CH:37]2[CH2:38][NH:39][CH2:40][CH:36]2[CH2:35][O:34]1>>[Cl:1][C:2]1[CH:28]=[CH:27][C:5]([CH2:6][N:7]2[C:15]3[C:10](=[CH:11][C:12]([CH:16]=[C:17]4[S:21][C:20]([N:39]5[CH2:40][CH:36]6[CH2:35][O:34][C:33](=[O:41])[CH:37]6[CH2:38]5)=[N:19][C:18]4=[O:26])=[CH:13][CH:14]=3)[CH:9]=[N:8]2)=[C:4]([C:29]([F:30])([F:32])[F:31])[CH:3]=1 | 1 |
C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OCC)=O)=NC(OCC)=O.[NH2:32][C:33]1[N:38]=[C:37]([CH2:39][CH2:40]O)[CH:36]=[CH:35][CH:34]=1.[C:42]([OH:45])(=[S:44])[CH3:43]>O1CCCC1>[C:42]([S:44][CH2:40][CH2:39][C:37]1[N:38]=[C:33]([NH2:32])[CH:34]=[CH:35][CH:36]=1)(=[O:45])[CH3:43] | 1 |
N1(C=NC=C1)CC1=CC=C(C=C1)NC(CC(C)=O)=O>S(O)(O)(=O)=O.N>N1(C=NC=C1)CC=1C=C2C(=CC(NC2=CC1)=O)C | 3 |
C(C)(C)(C)OC(=O)N[C@H](C=O)C.C[Si](CCOCN1C=NN=C1)(C)C>C1CCCO1.C(CCC)[Li].CCCCCC.[Cl-].[NH4+].C(C)(C)[Mg]Cl>OC([C@H](C)NC(OC(C)(C)C)=O)C1=NN=CN1COCC[Si](C)(C)C | 3 |
[C:1]([O:9][CH2:10][CH3:11])(=[O:8])[CH2:2][C:3]([O:5][CH2:6][CH3:7])=[O:4].CC(C)([O-])C.[K+].Br[C:19]1[CH:24]=[CH:23][C:22]([N+:25]([O-:27])=[O:26])=[CH:21][CH:20]=1>O1CCCC1>[CH2:10]([O:9][C:1](=[O:8])[CH:2]([C:19]1[CH:24]=[CH:23][C:22]([N+:25]([O-:27])=[O:26])=[CH:21][CH:20]=1)[C:3]([O:5][CH2:6][CH3:7])=[O:4])[CH3:11] | 1 |
C(CC)C1=CC=C(C=O)C=C1.[Br-].C(#N)CCCCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>C1CCCO1>C(CC)C1=CC=C(C=C1)C=CCCCCCC#N | 3 |
C(#N)C=1C=C(C=CC1)B(O)O.NC([C@H](CC1=CC=C(C=C1)I)NC(=O)C1(CCOCC1)NC(OC(C)(C)C)=O)=O>>NC([C@H](CC1=CC=C(C=C1)C1=CC(=CC=C1)C#N)NC(=O)C1(CCOCC1)NC(OC(C)(C)C)=O)=O | 5 |
Cl.N=C(C)N.C(C)OC(CC(CN1N=C(C(=C1C)CC1=C2CCCC2=C(C(=C1)C)OC)C)=O)=O>>COC=1C(=CC(=C2CCCC12)CC=1C(=NN(C1C)CC1=CC(NC(=N1)C)=O)C)C | 5 |
CC1(OB(OC1(C)C)C1=CC=C(N)C=C1)C.BrC1=NN(C2=NC=NC(=C21)N)C>O.O1CCOCC1.C(O)([O-])=O.[Na+].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]>NC1=CC=C(C=C1)C1=NN(C2=NC=NC(=C21)N)C | 3 |
[CH2:1]([O:8][C:9]([N:11]1[CH2:16][CH2:15][N:14]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[C@H:13]([C:24](O)=[O:25])[CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[F:27][C:28]1[CH:41]=[CH:40][C:31]([O:32][C:33]2[CH:39]=[CH:38][C:36]([NH2:37])=[CH:35][CH:34]=2)=[CH:30][CH:29]=1.CCN(C(C)C)C(C)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C>[F:27][C:28]1[CH:41]=[CH:40][C:31]([O:32][C:33]2[CH:39]=[CH:38][C:36]([NH:37][C:24]([C@@H:13]3[CH2:12][N:11]([C:9]([O:8][CH2:1][C:2]4[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=4)=[O:10])[CH2:16][CH2:15][N:14]3[C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])=[O:25])=[CH:35][CH:34]=2)=[CH:30][CH:29]=1 | 1 |
C(C(O)C(O)C(=O)O)(=O)O.CC(CC)=O.O.C(C1=CC=CC=C1)OC(C(C)(OC1=CC(=CC=C1)C1CNCCC1)C)=O>>C(=O)(O)[C@H](O)[C@@H](O)C(=O)O.C(C1=CC=CC=C1)OC(C(C)(OC1=CC(=CC=C1)C1CNCCC1)C)=O | 3 |
C(CCC)=O.C(=O)C=1NC2=CC=CC=C2C1>O.CCO[H].[OH-].[K+].C(C)(C)OC(C)C>C(C)/C(/C=O)=C\C=1NC2=CC=CC=C2C1 | 3 |
C1(CC1)CO.BrC1=C(C(=C(N)C=C1)[N+](=O)[O-])F>C1CCCO1.[H-].[Na+]>BrC1=C(C(=C(N)C=C1)[N+](=O)[O-])OCC1CC1 | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([CH:9]2[CH2:11][O:10]2)=[CH:5][CH:4]=1.[CH2:12]([NH2:15])[CH2:13][NH2:14]>CO.O>[OH:10][CH:9]([C:6]1[CH:7]=[CH:8][C:3]([O:2][CH3:1])=[CH:4][CH:5]=1)[CH2:11][NH:14][CH2:13][CH2:12][NH2:15] | 1 |
[C:1]([OH:9])(=[O:8])[C:2]([CH2:4][C:5]([OH:7])=[O:6])=[CH2:3].BrBr.C(=O)([O-])O.[Na+:16].C(=O)([O-])[O-].[Na+].[Na+]>O>[O:6]=[C:5]1[O:7][CH2:3][C:2]([C:1]([O-:9])=[O:8])=[CH:4]1.[Na+:16] | 1 |
[NH2:1][C:2]1[C:3]([C:9]([O:11]C)=[O:10])=[N:4][C:5](Br)=[CH:6][N:7]=1.[C:13]1(B(O)O)[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1>C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].C(Cl)Cl>[NH2:1][C:2]1[C:3]([C:9]([OH:11])=[O:10])=[N:4][C:5]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)=[CH:6][N:7]=1 | 2 |
OC=1C=C(C#N)C=CC1.N1=C(C=CC2=CC=CC=C12)COC=1C=C(CCl)C=CC1>>N1=C(C=CC2=CC=CC=C12)COC=1C=C(COC=2C=C(C#N)C=CC2)C=CC1 | 5 |
Cl.Cl.[CH2:3]([O:10][C:11]1[CH:16]=[CH:15][C:14]([C:17]2[CH:22]=[C:21]([O:23][CH2:24][CH:25]3[CH2:30][CH2:29][NH:28][CH2:27][CH2:26]3)[N:20]=[N:19][C:18]=2[CH2:31][CH2:32][CH2:33][CH3:34])=[CH:13][CH:12]=1)[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.C=O.[C:37](O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>C(Cl)Cl>[CH2:3]([O:10][C:11]1[CH:12]=[CH:13][C:14]([C:17]2[CH:22]=[C:21]([O:23][CH2:24][CH:25]3[CH2:30][CH2:29][N:28]([CH3:37])[CH2:27][CH2:26]3)[N:20]=[N:19][C:18]=2[CH2:31][CH2:32][CH2:33][CH3:34])=[CH:15][CH:16]=1)[C:4]1[CH:5]=[CH:6][CH:7]=[CH:8][CH:9]=1 | 1 |
Cl.[Cl:2][C:3]1[CH:8]=[CH:7][C:6]([CH:9]2[N:13]([C:14]3[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][C:15]=3[Cl:21])[N:12]=[C:11]([C:22]([NH:24][N:25]3[CH2:30][CH2:29][CH2:28][CH2:27][CH2:26]3)=[O:23])[CH2:10]2)=[CH:5][CH:4]=1>CC(C)=O>[ClH:2].[Cl:2][C:3]1[CH:8]=[CH:7][C:6]([CH:9]2[N:13]([C:14]3[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][C:15]=3[Cl:21])[N:12]=[C:11]([C:22]([NH:24][N:25]3[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]3)=[O:23])[CH2:10]2)=[CH:5][CH:4]=1 | 2 |
ClC1=NC2=CC=CC(=C2C=C1)[N+](=O)[O-]>>ClC1=NC=2C=CC=C(C2C=C1)N | 5 |
[N+]([O-])([O-])=O.[Na+].[CH2:6]([O:9][C:10]1[CH:11]=[C:12]([C:16](N)=[CH:17][C:18]=1[O:19][CH2:20][CH:21]=[CH2:22])[C:13]([OH:15])=[O:14])[CH:7]=[CH2:8].Cl.C(=O)([O-])[O-].[K+].[K+].[Cu:31]Cl.[O-:33][C:34]#[N:35].[Na+]>O>[Cu:31][O:33][C:34]#[N:35].[CH2:6]([O:9][C:10]1[CH:11]=[C:12]([C:16]([C:34]#[N:35])=[CH:17][C:18]=1[O:19][CH2:20][CH:21]=[CH2:22])[C:13]([OH:15])=[O:14])[CH:7]=[CH2:8] | 1 |
FC(C1=CC(=NC=C1)NC1=CC(=CC(=N1)C=1C=NC(=CC1)[C@](C)(O)[C@@H]1CC[C@H](CC1)C(=O)OCCSC)C)F>>FC(C1=CC(=NC=C1)NC1=CC(=CC(=N1)C=1C=NC(=CC1)[C@](C)(O)[C@@H]1CC[C@H](CC1)C(=O)OCC[S@](=O)C)C)F.FC(C1=CC(=NC=C1)NC1=CC(=CC(=N1)C=1C=NC(=CC1)[C@](C)(O)[C@@H]1CC[C@H](CC1)C(=O)OCC[S@@](=O)C)C)F | 5 |
F[C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][C:3]=1[C:11]1[O:12][C:13]2[CH:19]=[CH:18][C:17]([C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)=[CH:16][C:14]=2[N:15]=1.[CH2:26]([NH2:28])[CH3:27]>>[N+:8]([C:5]1[CH:6]=[CH:7][C:2]([NH:28][CH2:26][CH3:27])=[C:3]([C:11]2[O:12][C:13]3[CH:19]=[CH:18][C:17]([C:20]4[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=4)=[CH:16][C:14]=3[N:15]=2)[CH:4]=1)([O-:10])=[O:9] | 1 |
FC1=CC=C(CBr)C=C1.P(=O)(OCC)(OCC)OCC.C(CC)[C@@H]1CC[C@H](CC1)[Si@@H]1CC[C@H](CC1)CBr>[Cu]I.C1CCCO1.[Mg]>C(CC)[C@@H]1CC[C@H](CC1)[Si@@H]1CC[C@H](CC1)CCC1=CC=C(C=C1)F | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]([CH2:12][C:13]([CH3:17])([CH3:16])[CH2:14][OH:15])[C:10](=[O:18])[C@@H:9]([CH2:19][C:20]([NH:22][C:23]3[O:27][C:26]([C:28]([OH:30])=[O:29])=[CH:25][CH:24]=3)=[O:21])[O:8][C@H:7]([C:31]3[CH:36]=[CH:35][CH:34]=[C:33]([O:37][CH3:38])[C:32]=3[O:39][CH3:40])[C:6]=2[CH:41]=1.N1C=CC=CC=1.[C:48](OCC)(=[O:50])[CH3:49].C(Cl)(=O)C>O>[C:48]([O:15][CH2:14][C:13]([CH3:17])([CH3:16])[CH2:12][N:11]1[C:5]2[CH:4]=[CH:3][C:2]([Cl:1])=[CH:41][C:6]=2[C@@H:7]([C:31]2[CH:36]=[CH:35][CH:34]=[C:33]([O:37][CH3:38])[C:32]=2[O:39][CH3:40])[O:8][C@H:9]([CH2:19][C:20]([NH:22][C:23]2[O:27][C:26]([C:28]([OH:30])=[O:29])=[CH:25][CH:24]=2)=[O:21])[C:10]1=[O:18])(=[O:50])[CH3:49] | 2 |
N#CBr.CC(CN)(C)N>>Br.CC1(CN=C(N1)N)C | 5 |
[F:1][C:2]([F:16])([F:15])[O:3][C:4]1[CH:5]=[C:6]2[C:10](=[CH:11][CH:12]=1)[NH:9][C:8](=[O:13])[C:7]2=O.[OH-:17].[K+].[C:19]([C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)(=O)[CH3:20].Cl>C(O)C>[C:22]1([C:19]2[CH:20]=[C:7]([C:8]([OH:17])=[O:13])[C:6]3[C:10](=[CH:11][CH:12]=[C:4]([O:3][C:2]([F:16])([F:15])[F:1])[CH:5]=3)[N:9]=2)[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1 | 1 |
IC1=C(C=C(C(=O)O)C=C1)[N+](=O)[O-]>S(O)(O)(=O)=O.CO[H]>COC(C1=CC(=C(C=C1)I)[N+](=O)[O-])=O | 3 |
[CH:1](=O)[C:2]1[CH:7]=[CH:6][CH:5]=[N:4][CH:3]=1.[CH3:9][NH2:10].[C:11]([OH:15])(=O)[CH2:12][SH:13]>>[CH3:9][N:10]1[C:11](=[O:15])[CH2:12][S:13][CH:1]1[C:2]1[CH:3]=[N:4][CH:5]=[CH:6][CH:7]=1 | 1 |
[NH2:1][C@H:2]([CH2:6][OH:7])[CH:3]([CH3:5])[CH3:4].S([O-])([O-])(=O)=O.[Mg+2].[CH:14](=O)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1>ClCCl>[CH:14](=[N:1][C@@H:2]([CH:3]([CH3:5])[CH3:4])[CH2:6][OH:7])[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1 | 2 |
NC=1C=NC=CC1.ClC1=CC=C(C=C1)C1=C(C=NO1)CCC(=O)O>N(C)(C)C=O.Cl.C(C)N=C=NCCCN(C)C.O.ON1N=NC2=C1C=CC=C2>N1=CC(=CC=C1)NC(CCC=1C=NOC1C1=CC=C(C=C1)Cl)=O | 3 |
[C:1]([C:5]1[CH:6]=[C:7]([CH2:16][C:17]([NH:19][C:20]2[C:25]([O:26]C(=O)CC3C=C(C(C)(C)C)C(O)=C(C(C)(C)C)C=3)=[C:24]([Br:45])[CH:23]=[C:22]([Cl:46])[CH:21]=2)=[O:18])[CH:8]=[C:9]([C:12]([CH3:15])([CH3:14])[CH3:13])[C:10]=1[OH:11])([CH3:4])([CH3:3])[CH3:2].C(=O)([O-])[O-].[K+].[K+]>CO>[Br:45][C:24]1[CH:23]=[C:22]([Cl:46])[CH:21]=[C:20]([NH:19][C:17](=[O:18])[CH2:16][C:7]2[CH:8]=[C:9]([C:12]([CH3:13])([CH3:14])[CH3:15])[C:10]([OH:11])=[C:5]([C:1]([CH3:4])([CH3:3])[CH3:2])[CH:6]=2)[C:25]=1[OH:26] | 1 |
COC1=C(C=CC=C1)B(O)O.C(C)(C)(C)OC(=O)N1C[C@@H](N([C@@H](C1)C)C(=O)OCC1=C(C(=CC=C1F)Br)F)C>>FC1=C(C=CC(=C1COC(=O)N1[C@H](CNC[C@H]1C)C)F)C1=C(C=CC=C1)OC | 5 |
[CH2:1]([CH2:5][C:6](=O)[CH3:7])[C:2]([CH3:4])=O.[NH2:9][C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[CH2:16][C:17]#[N:18].C1(C)C=CC(S(O)(=O)=O)=CC=1>C1(C)C=CC=CC=1.C1(C)C=CC(S(O)(=O)=O)=CC=1>[CH3:4][C:2]1[N:9]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=2[CH2:16][C:17]#[N:18])[C:6]([CH3:7])=[CH:5][CH:1]=1 | 1 |
C(C=C)(=O)Cl.C(C)(C)(C)OC(N[C@H]1C[C@H](CC1)N)=O>ClCCl.C(=O)(C(F)(F)F)O.CCN(CC)CC>N[C@H]1C[C@H](CC1)NC(C=C)=O | 3 |
C(C)(C)(C)OC(=O)N1C[C@H]([C@@H](C1)OCC#CC1=C(C=CC=C1)F)N=[N+]=[N-]>>C(C)(C)(C)OC(=O)N1C[C@H]2OCC=3N([C@@H]2C1)N=NC3C3=C(C=CC=C3)F | 5 |
ClCC1OC1.OC1=C(C=C(C(=O)N)C=C1)I>N(C)(C)C=O.[H-].[Na+]>IC=1C=C(C(=O)N)C=CC1OCC1OC1 | 3 |
ClC1=C(C(=CC=C1)Cl)C1=NOC(=C1COC1=CC=C(C=C1)C=1C=C2C=CC(=NC2=CC1)C(=O)OC)[C@H](CC)C>>ClC1=C(C(=CC=C1)Cl)C1=NOC(=C1COC1=CC=C(C=C1)C=1C=C2C=CC(=NC2=CC1)C(=O)O)[C@H](CC)C | 5 |
Br[C:2](Br)=[CH:3][C:4]1[C:5]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)=[N:6][O:7][C:8]=1[CH3:9].C([Mg]Cl)(C)C.[Cl-].[NH4+]>C1COCC1>[C:3]([C:4]1[C:5]([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)=[N:6][O:7][C:8]=1[CH3:9])#[CH:2] | 1 |
[N:1]([CH:4]([CH3:6])[CH3:5])=[C:2]=[O:3].Cl.[CH3:8][N:9]1[CH2:14][CH2:13][N:12]([C:15]2[CH:20]=[C:19]([C:21]3[CH:30]=[C:29]4[C:24]([CH2:25][CH2:26][NH:27][CH2:28]4)=[CH:23][CH:22]=3)[N:18]=[C:17]([NH2:31])[N:16]=2)[CH2:11][CH2:10]1>>[NH2:31][C:17]1[N:18]=[C:19]([C:21]2[CH:30]=[C:29]3[C:24]([CH2:25][CH2:26][N:27]([C:2]([NH:1][CH:4]([CH3:6])[CH3:5])=[O:3])[CH2:28]3)=[CH:23][CH:22]=2)[CH:20]=[C:15]([N:12]2[CH2:11][CH2:10][N:9]([CH3:8])[CH2:14][CH2:13]2)[N:16]=1 | 1 |
BrCC#CC.COC(C1=CC=C(C=C1)O)=O>>C(C#CC)OC1=CC=C(C(=O)OC)C=C1 | 5 |
[F:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[CH:4][C:3]=1[CH2:9][S:10][C:11]1[N:20]=[C:19]([NH:21][C@H:22]([CH3:25])[CH2:23][OH:24])[C:18]2[N:17]=[CH:16][C:15](=[O:26])[NH:14][C:13]=2[N:12]=1.[Br:27]Br>C(#N)C>[Br:27][C:16]1[C:15](=[O:26])[NH:14][C:13]2[N:12]=[C:11]([S:10][CH2:9][C:3]3[CH:4]=[CH:5][CH:6]=[C:7]([F:8])[C:2]=3[F:1])[N:20]=[C:19]([NH:21][C@H:22]([CH3:25])[CH2:23][OH:24])[C:18]=2[N:17]=1 | 2 |
Cl.[CH2:2]([C:4]1[S:24][C:7]2[N:8]=[C:9]([S:18][CH2:19][C:20]([O:22][CH3:23])=[O:21])[N:10]=[C:11]([N:12]3[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]3)[C:6]=2[CH:5]=1)[CH3:3].[CH:25](N(C(C)C)CC)(C)C.N1[CH:39]=[CH:38][CH:37]=[C:36]([C:40]2[S:41][CH:42]=[C:43]([C:45]([OH:47])=O)[N:44]=2)[CH:35]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C>[CH2:2]([C:4]1[S:24][C:7]2[N:8]=[C:9]([S:18][CH2:19][C:20]([O:22][CH3:23])=[O:21])[N:10]=[C:11]([N:12]3[CH2:17][CH2:16][N:15]([C:45]([C:43]4[N:44]=[C:40]([C:36]5[CH:35]=[CH:25][CH:39]=[CH:38][CH:37]=5)[S:41][CH:42]=4)=[O:47])[CH2:14][CH2:13]3)[C:6]=2[CH:5]=1)[CH3:3] | 2 |
[NH2:1][CH2:2][CH2:3][C@H:4]([OH:7])[CH2:5][OH:6].[CH3:8][C:9]1([CH3:33])[CH2:18][CH2:17][C:16]([CH3:20])([CH3:19])[C:15]2[CH:14]=[C:13]([C:21]3[N:22]=[C:23]([N:26]4[CH2:31][CH2:30][C:29](=O)[CH2:28][CH2:27]4)[S:24][CH:25]=3)[CH:12]=[CH:11][C:10]1=2.Cl>>[CH3:8][C:9]1([CH3:33])[CH2:18][CH2:17][C:16]([CH3:19])([CH3:20])[C:15]2[CH:14]=[C:13]([C:21]3[N:22]=[C:23]([N:26]4[CH2:31][CH2:30][CH:29]([NH:1][CH2:2][CH2:3][C@H:4]([OH:7])[CH2:5][OH:6])[CH2:28][CH2:27]4)[S:24][CH:25]=3)[CH:12]=[CH:11][C:10]1=2 | 1 |
[NH2:1][C@H:2]1[C:11]2[C:6](=[CH:7][CH:8]=[C:9]([N:12]3[CH2:17][CH2:16][O:15][CH2:14][CH2:13]3)[CH:10]=2)[N:5]([C:18](=[O:20])[CH3:19])[C@@H:4]([CH2:21][CH3:22])[C@@H:3]1[CH3:23].Br[C:25]1[CH:32]=[CH:31][C:28]([C:29]#[N:30])=[CH:27][CH:26]=1.CN(C1C(C2C(P(C3CCCCC3)C3CCCCC3)=CC=CC=2)=CC=CC=1)C.CC(C)([O-])C.[Na+]>O1CCOCC1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd]>[C:18]([N:5]1[C:6]2[C:11](=[CH:10][C:9]([N:12]3[CH2:13][CH2:14][O:15][CH2:16][CH2:17]3)=[CH:8][CH:7]=2)[C@H:2]([NH:1][C:25]2[CH:32]=[CH:31][C:28]([C:29]#[N:30])=[CH:27][CH:26]=2)[C@@H:3]([CH3:23])[C@@H:4]1[CH2:21][CH3:22])(=[O:20])[CH3:19] | 2 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([S:14]([C:17]2[CH:18]=[C:19]([CH:23]=[CH:24][C:25]=2[Cl:26])[C:20](O)=[O:21])(=[O:16])=[O:15])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[Cl-].[CH3:28][NH2+:29][CH3:30].Cl.CN(C)CCCN=C=NCC.C1C=CC2N(O)N=NC=2C=1.CCN(CC)CC>C(Cl)Cl>[Cl:26][C:25]1[CH:24]=[CH:23][C:19]([C:20]([N:29]([CH3:30])[CH3:28])=[O:21])=[CH:18][C:17]=1[S:14]([N:11]1[CH2:10][CH2:9][N:8]([C:6]([O:5][C:1]([CH3:3])([CH3:4])[CH3:2])=[O:7])[CH2:13][CH2:12]1)(=[O:15])=[O:16] | 2 |
Br[C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[C:7]([O:12][CH3:13])[N:8]=2)[N:3]=1.[NH2:14][C:15]1[S:16][C:17]([C:23]2[CH:28]=[CH:27][C:26]([C:29]([OH:32])([CH3:31])[CH3:30])=[CH:25][CH:24]=2)=[CH:18][C:19]=1[C:20]([NH2:22])=[O:21].C(=O)([O-])[O-].[K+].[K+].CC(C1C=C(C(C)C)C(C2C=CC=CC=2P(C2CCCCC2)C2CCCCC2)=C(C(C)C)C=1)C>C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd]>[OH:32][C:29]([C:26]1[CH:25]=[CH:24][C:23]([C:17]2[S:16][C:15]([NH:14][C:2]3[CH:11]=[CH:10][C:9]4[C:4](=[CH:5][CH:6]=[C:7]([O:12][CH3:13])[N:8]=4)[N:3]=3)=[C:19]([C:20]([NH2:22])=[O:21])[CH:18]=2)=[CH:28][CH:27]=1)([CH3:31])[CH3:30] | 1 |
FC(C1=CC=C(C=C1)N1CCC(CC1)OC=1N=CC(=NC1)C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)(F)F>Cl.O1CCOCC1>Cl.Cl.N1CCC(CC1)NC(=O)C1=NC=C(N=C1)OC1CCN(CC1)C1=CC=C(C=C1)C(F)(F)F | 3 |
COC=1C=C(C(=O)O)C=C(C1OC)[N+](=O)[O-]>C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1>COC=1C=C(C(=O)N2C=NC=C2)C=C(C1OC)[N+](=O)[O-] | 3 |
Br[C:2]1[CH:3]=[C:4](/[CH:8]=[CH:9]/[C:10]2[CH:11]=[C:12]([NH:16][C:17]3[C:22]([N+:23]([O-:25])=[O:24])=[CH:21][CH:20]=[CH:19][N:18]=3)[CH:13]=[CH:14][CH:15]=2)[CH:5]=[N:6][CH:7]=1.[CH:26]([C:28]1[CH:33]=[CH:32][N:31]=[CH:30][CH:29]=1)=[CH2:27].C(=O)(O)[O-].[Na+]>[Cl-].C([N+](CCCC)(CCCC)CCCC)CCC.CN(C)C=O.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[N:31]1[CH:32]=[CH:33][C:28](/[CH:26]=[CH:27]/[C:2]2[CH:3]=[C:4](/[CH:8]=[CH:9]/[C:10]3[CH:11]=[C:12]([NH:16][C:17]4[C:22]([N+:23]([O-:25])=[O:24])=[CH:21][CH:20]=[CH:19][N:18]=4)[CH:13]=[CH:14][CH:15]=3)[CH:5]=[N:6][CH:7]=2)=[CH:29][CH:30]=1 | 1 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C@H:8]2[CH2:13][O:12][C@H:11]([CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[CH2:10][O:9]2)=[CH:4][CH:3]=1.[C:19](C#N)#[N:20].N1C=CC=CC=1.Cl>CN1CCCC1=O>[C:19]([C:2]1[CH:7]=[CH:6][C:5]([C@H:8]2[CH2:13][O:12][C@H:11]([CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])[CH2:10][O:9]2)=[CH:4][CH:3]=1)#[N:20] | 1 |
NC=1SC=CN1.C1(CCCC1)CC(C(=O)O)C1=CC=C(C=C1)C(F)(F)F>>C1(CCCC1)CC(C(=O)NC=1SC=CN1)C1=CC=C(C=C1)C(F)(F)F | 5 |
FC1=CC=C(C=C1)[N+](=O)[O-].C1(CC1)S>>C1(CC1)SC1=CC=C(C=C1)[N+](=O)[O-] | 5 |
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