smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)(=O)C1=CC=C(C#N)C=C1.C(C(C)(C)C)[Mg]Cl>>OC(CC(C)(C)C)(C)C1=CC=C(C#N)C=C1 | 5 |
[C:1]([O:9][CH2:10][CH:11]=[CH2:12])(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:13][C:14]1([CH3:21])[C:18]([CH3:20])([CH3:19])[O:17][BH:16][O:15]1>ClCCl.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.[Cl-].[Rh]>[C:1]([O:9][CH2:10][CH2:11][CH2:12][B:16]1[O:17][C:18]([CH3:20])([CH3:19])[C:14]([CH3:21])([CH3:13])[O:15]1)(=[O:8])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 2 |
[H-].C([Al+]CC(C)C)C(C)C.[CH:11]#[C:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18].[CH:19]([C:21]1[C:30]([CH3:31])=[C:29]([O:32][C:33](=[O:35])[CH3:34])[C:28]2[C:23](=[CH:24][CH:25]=[C:26]([F:36])[CH:27]=2)[N:22]=1)=[O:20].O>CCCCCC.O1CCCC1>[OH:20][CH:19]([C:21]1[C:30]([CH3:31])=[C:29]([O:32][C:33](=[O:35])[CH3:34])[C:28]2[C:23](=[CH:24][CH:25]=[C:26]([F:36])[CH:27]=2)[N:22]=1)/[CH:11]=[CH:12]/[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18] | 1 |
BrC=1C(=NC=C(N1)C=1C=NN(C1)C)N.COC=1C=C(C=C(C1)OC)N1N=C(C=CC1=O)B1OC(C(O1)(C)C)(C)C>O.C(=O)(C(F)(F)F)O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>NC1=NC=C(C=C1C=1C=CC(N(N1)C1=CC(=CC(=C1)OC)OC)=O)C=1C=NN(C1)C | 3 |
FC(C1=NN2C(C3=C(C=C2)OCC3)=C1CCN)(F)F>C1CCCO1.CCN(CC)CC.C(C)(=O)Cl>FC(C1=NN2C(C3=C(C=C2)OCC3)=C1CCNC(C)=O)(F)F | 3 |
FC1=C(C=C(C=C1)F)[C@]1([C@H](C(O1)=O)C)CN1N=CN=C1>C1(=CC=NC=C1)N(C)C.N>FC1=C(C=C(C=C1)F)[C@]([C@H](C(=O)N)C)(CN1N=CN=C1)O | 3 |
C(C)(C)(C)OC(C1=CC=C(C=C1)C=O)=O.NC1=NNC(=N1)NC1=CC(=CC(=C1)Cl)Cl>>ClC=1C=C(C=C(C1)Cl)NC1=NNC(=N1)NCC1=CC=C(C(=O)OC(C)(C)C)C=C1 | 5 |
C(=O)(OC(C)(C)C)N1CCNCC1.C(C)N1N=CC=2C1=NC(=C(C2NC2CCOCC2)CNC(=O)C2=CC(=CC=C2)C(=O)NCC=2C(=C(C=CC2)C2=CC(=CC=C2)C=O)C)CC>C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C(C)N1N=CC=2C1=NC(=C(C2NC2CCOCC2)CNC(=O)C2=CC(=CC=C2)C(=O)NCC=2C(=C(C=CC2)C2=CC(=CC=C2)CN2CCNCC2)C)CC | 3 |
[NH:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.C(N(CC)CC)C.CN(C1C=CC=CN=1)C.Cl.[F:24][C:25]1[CH:26]=[C:27]([CH:31]=[CH:32][C:33]=1[NH:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50])[C:28](Cl)=[O:29]>CCOCC>[F:24][C:25]1[CH:26]=[C:27]([CH:31]=[CH:32][C:33]=1[NH:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50])[C:28]([N:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1)=[O:29] | 1 |
[Br-].C[Mg+].ClC1=C(C=O)C=CC(=N1)F>CC#N.CC1OCCC1>ClC1=NC(=CC=C1C(C)O)F | 3 |
C[C@@H]1CC[C@H](CC1)C(=O)Cl.CC(C)NC1=C(SC=C1)C(=O)OC>>C[C@@H]1CC[C@H](CC1)C(=O)N(C1=C(SC=C1)C(=O)OC)C(C)C | 5 |
ClC1=CC=C(C=N1)C(=O)N1CCOCC1.Cl.FC=1C=C(C=CC1)C1=NC=C(C(=O)NC2CCNCC2)C=C1>>FC=1C=C(C=CC1)C1=NC=C(C(=O)NC2CCN(CC2)C2=NC=C(C=C2)C(=O)N2CCOCC2)C=C1 | 5 |
BrCCCCN1C(C=2C(C1=O)=CC=CC2)=O.CC=1C(=NC=CC1)C1NC(CC(C1)(O)C)C1=NC=CC=C1C>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>OC1(CC(N(C(C1)C1=NC=CC=C1C)CCCCN1C(C2=CC=CC=C2C1=O)=O)C1=NC=CC=C1C)C | 3 |
FC(F)(F)C(O)=[O:4].N([C@H]1[C@H](O)CCCN(C(OC(C)(C)C)=O)C1)=[N+]=[N-].Br[CH2:27][C:28]1[CH:33]=[CH:32][C:31]([C:34]([C:36]2[CH:41]=[C:40]([O:42][CH3:43])[CH:39]=[CH:38][C:37]=2[O:44][CH2:45][O:46][CH3:47])=[O:35])=[CH:30][CH:29]=1>>[OH:4][CH2:27][C:28]1[CH:33]=[CH:32][C:31]([C:34]([C:36]2[CH:41]=[C:40]([O:42][CH3:43])[CH:39]=[CH:38][C:37]=2[O:44][CH2:45][O:46][CH3:47])=[O:35])=[CH:30][CH:29]=1 | 1 |
ClC1=C(C(N(C=C1)C1=C(C=CC=C1)C)=O)C#N>N(C)(C)C=O.BrN1C(CCC1=O)=O>BrC=1C(=C(C(N(C1)C1=C(C=CC=C1)C)=O)C#N)Cl | 3 |
Br[C:2]1[C:3]([O:17][CH3:18])=[CH:4][C:5]2[S:9][C:8]([NH:10][C:11]([NH:13][CH2:14][CH3:15])=[O:12])=[N:7][C:6]=2[CH:16]=1.[CH3:19][C:20]1([C:41]([O:43][CH2:44][CH3:45])=[O:42])[CH2:25][CH2:24][N:23]([C:26]2[N:31]=[CH:30][C:29](B3OC(C)(C)C(C)(C)O3)=[CH:28][N:27]=2)[CH2:22][CH2:21]1.C(Cl)Cl.C(=O)([O-])[O-].[Cs+].[Cs+]>O1CCOCC1.O.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]>[CH2:14]([NH:13][C:11]([NH:10][C:8]1[S:9][C:5]2[CH:4]=[C:3]([O:17][CH3:18])[C:2]([C:29]3[CH:28]=[N:27][C:26]([N:23]4[CH2:24][CH2:25][C:20]([CH3:19])([C:41]([O:43][CH2:44][CH3:45])=[O:42])[CH2:21][CH2:22]4)=[N:31][CH:30]=3)=[CH:16][C:6]=2[N:7]=1)=[O:12])[CH3:15] | 1 |
C(O[N:6]([CH2:10][C:11]([NH:13][C:14]1[CH:19]=[CH:18][C:17]([CH3:20])=[C:16]([CH:21]2[CH2:26][CH2:25][N:24]([CH2:27][C:28]3[CH:33]=[CH:32][C:31]([O:34][C:35]4[CH:40]=[C:39]([F:41])[C:38]([F:42])=[CH:37][C:36]=4[F:43])=[CH:30][CH:29]=3)[CH2:23][CH2:22]2)[CH:15]=1)=[O:12])[C:7](C)=O)(C)(C)C.FC(F)(F)C(O)=O.C(Cl)[Cl:52]>Cl>[ClH:52].[ClH:52].[CH3:7][NH:6][CH2:10][C:11]([NH:13][C:14]1[CH:19]=[CH:18][C:17]([CH3:20])=[C:16]([CH:21]2[CH2:22][CH2:23][N:24]([CH2:27][C:28]3[CH:29]=[CH:30][C:31]([O:34][C:35]4[CH:40]=[C:39]([F:41])[C:38]([F:42])=[CH:37][C:36]=4[F:43])=[CH:32][CH:33]=3)[CH2:25][CH2:26]2)[CH:15]=1)=[O:12] | 1 |
NC=1N=CC(=NC1C=1OC2=C(C=NC=C2)N1)C1=CC=C(C=C1)C(=O)N1CCN(CC1)C>>Br.NC=1N=CC(=NC1C=1OC2=C(C=NC=C2)N1)C1=CC=C(C=C1)C(=O)N1CCN(CC1)C | 5 |
[CH2:1]([N:8]1[C:16]2[C:15](=[O:17])[NH:14][C:13](=[O:18])[N:12]([CH3:19])[C:11]=2[N:10]=[C:9]1[Br:20])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[Na+].[C:23]([O:26][C@H:27]([CH3:33])[CH2:28][CH2:29][CH2:30][CH2:31]Cl)(=[O:25])[CH3:24]>CS(C)=O>[C:23]([O:26][C@H:27]([CH3:33])[CH2:28][CH2:29][CH2:30][CH2:31][N:14]1[C:15](=[O:17])[C:16]2[N:8]([CH2:1][C:2]3[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=3)[C:9]([Br:20])=[N:10][C:11]=2[N:12]([CH3:19])[C:13]1=[O:18])(=[O:25])[CH3:24] | 1 |
[C:1]([O:5][C:6]([NH:8][C@@H:9]([C:15]([OH:17])=O)[CH2:10][Si:11]([CH3:14])([CH3:13])[CH3:12])=[O:7])([CH3:4])([CH3:3])[CH3:2].C[N:19]1[CH2:24][CH2:23][O:22][CH2:21]C1.CN(C(O[N:33]1N=N[C:35]2C=CC=N[C:34]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CO[C:51]([CH3:54])([CH3:53])[CH3:52].CN(C=[O:59])C>>[C:1]([O:5][C:6]([NH:8][C@@H:9]([C:15]([NH:19][C@H:24]([C:23]([O:22][CH3:21])=[O:59])[CH2:52][C:51]1[CH:54]=[N:33][CH:34]=[CH:35][CH:53]=1)=[O:17])[CH2:10][Si:11]([CH3:12])([CH3:13])[CH3:14])=[O:7])([CH3:2])([CH3:3])[CH3:4] | 1 |
[S:1]1[CH:5]=[CH:4][C:3]([CH2:6][C:7]#[N:8])=[CH:2]1.[CH3:9][CH:10]1[CH2:15][CH2:14][C:13](=O)[CH2:12][CH2:11]1>>[CH3:9][CH:10]1[CH2:15][CH2:14][C:13](=[C:6]([C:3]2[CH:4]=[CH:5][S:1][CH:2]=2)[C:7]#[N:8])[CH2:12][CH2:11]1 | 1 |
BrCCC1=CC=CC=C1.C1(=CC=CC=C1)C1=NNC(C2=CC=CC=C12)=O>O.[OH-].[Na+].[HH].CS(=O)C.[H-].[Na+]>C1(=CC=CC=C1)C1=NN(C(C2=CC=CC=C12)=O)CCC1=CC=CC=C1 | 3 |
CC=1NC=CN1.COC(C1=C(C=C(C(=C1)F)C(F)(F)F)[N+](=O)[O-])=O>>COC(C1=C(C=C(C(=C1)N1C(=NC=C1)C)C(F)(F)F)[N+](=O)[O-])=O | 5 |
CON(C)[C:4](=[O:22])/[CH:5]=[C:6](/[C:8]1[CH:13]=[CH:12][C:11]([O:14][CH2:15][CH2:16][CH2:17][C:18]([F:21])([F:20])[F:19])=[CH:10][CH:9]=1)\[CH3:7].[C:24]1([CH3:32])[CH:29]=[CH:28][C:27]([Mg]Br)=[CH:26][CH:25]=1.CCOCC.[NH4+].[Cl-]>C1COCC1.O>[C:24]1([CH3:32])[CH:29]=[CH:28][C:27]([C:4](=[O:22])/[CH:5]=[C:6](/[C:8]2[CH:9]=[CH:10][C:11]([O:14][CH2:15][CH2:16][CH2:17][C:18]([F:19])([F:20])[F:21])=[CH:12][CH:13]=2)\[CH3:7])=[CH:26][CH:25]=1 | 1 |
[Cl:1][C:2]1[C:7]([C:8]([NH:10][CH2:11][C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([F:18])[CH:13]=2)=[O:9])=[C:6]([CH3:19])[CH:5]=[C:4](Cl)[N:3]=1.C([O-])([O-])=O.[K+].[K+].[CH3:27][O:28][CH:29]1[CH2:34][CH2:33][CH2:32][CH:31]([NH:35][CH3:36])[CH2:30]1.O>CN(C=O)C>[Cl:1][C:2]1[C:7]([C:8]([NH:10][CH2:11][C:12]2[CH:17]=[CH:16][CH:15]=[C:14]([F:18])[CH:13]=2)=[O:9])=[C:6]([CH3:19])[CH:5]=[C:4]([N:35]([CH:31]2[CH2:32][CH2:33][CH2:34][CH:29]([O:28][CH3:27])[CH2:30]2)[CH3:36])[N:3]=1 | 1 |
[Si]([O:8][C@H:9]1[CH2:34][CH2:33][C@@:32]2([CH3:35])[C:11](=[CH:12][CH:13]=[C:14]3[C@@H:31]2[CH2:30][CH2:29][C@@:28]2([CH3:36])[C@H:15]3[CH2:16][CH2:17][C@@H:18]2[C@H:19]([CH3:27])[CH2:20][CH2:21][CH2:22][C@@H:23]([CH3:26])[CH2:24][Cl:25])[C:10]1([CH3:38])[CH3:37])(C(C)(C)C)(C)C.Cl.C1C=CC=CC=1>C(O)C>[Cl:25][CH2:24][C@@H:23]([CH2:22][CH2:21][CH2:20][C@H:19]([C@@H:18]1[C@:28]2([CH3:36])[C:15]([C:14]3[CH2:13][CH2:12][C@@H:11]4[C@:32]([C:31]=3[CH2:30][CH2:29]2)([CH3:35])[CH2:33][CH2:34][C@H:9]([OH:8])[C:10]4([CH3:38])[CH3:37])=[CH:16][CH2:17]1)[CH3:27])[CH3:26] | 2 |
C(C#C)O.ClC1=NN=C(C2=CC=CC=C12)Cl>[Na]>ClC1=NN=C(C2=CC=CC=C12)OCC#C | 3 |
C(C1=CC=CC=C1)Br.OC1=CC=C(C=N1)OC1=CC=C(C=C1)CCC(C)NC(C)=O>CC(C)(C)[O-].[K+].O.CN1C(CCC1)=O>C(C1=CC=CC=C1)N1C=C(C=CC1=O)OC1=CC=C(C=C1)CCC(C)NC(C)=O | 3 |
[F:1][C:2]1[CH:3]=[C:4]2[C:9]3=[C:10]([CH2:27][CH2:28][CH:29]([CH3:30])[N:8]3[C:7](=[O:31])[NH:6][C:5]2=[O:32])[C:11]=1[N:12]1[CH2:16][CH2:15][C@@H:14]([C@@H:17]([NH:19]C(=O)OC(C)(C)C)[CH3:18])[CH2:13]1.[ClH:33]>C(O)C>[ClH:33].[NH2:19][C@H:17]([C@@H:14]1[CH2:15][CH2:16][N:12]([C:11]2[C:10]3[CH2:27][CH2:28][CH:29]([CH3:30])[N:8]4[C:9]=3[C:4]([C:5](=[O:32])[NH:6][C:7]4=[O:31])=[CH:3][C:2]=2[F:1])[CH2:13]1)[CH3:18] | 2 |
[Br:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1F)[CH:5]=[O:6].[F:11][C:12]1[CH:17]=[C:16]([F:18])[CH:15]=[CH:14][C:13]=1[OH:19].C(=O)([O-])[O-].[Cs+].[Cs+]>CS(C)=O>[Br:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][C:9]=1[O:19][C:13]1[CH:14]=[CH:15][C:16]([F:18])=[CH:17][C:12]=1[F:11])[CH:5]=[O:6] | 1 |
C(O[C:5](=[O:7])[CH3:6])(=O)C.[C:8](Cl)(=[O:11])[CH2:9][CH3:10].C[O:14][C:15]1C=[CH:19][C:18]([NH:21][CH2:22][CH3:23])=[CH:17][CH:16]=1.CO[C:26]1[CH:27]=[C:28]([CH2:34][CH2:35][NH2:36])[CH:29]=[CH:30][C:31]=1[O:32]C.[CH3:37][C:38]1[CH:39]=[C:40]([CH2:46][CH2:47][NH2:48])[CH:41]=[CH:42][C:43]=1OC>>[CH2:9]([CH:10]1[C:29]2[C:28](=[CH:27][CH:26]=[C:31]([OH:32])[CH:30]=2)[CH2:34][CH2:35][NH:36]1)[CH3:8].[CH3:19][CH:18]1[C:17]2[C:10](=[CH:9][C:8]([OH:11])=[C:15]([OH:14])[CH:16]=2)[CH2:23][CH2:22][NH:21]1.[CH3:37][CH:38]1[C:39]2[C:40](=[CH:41][C:42]([CH3:43])=[C:5]([OH:7])[CH:6]=2)[CH2:46][CH2:47][NH:48]1 | 1 |
FC1=C(C=CC=C1)[N+](=O)[O-].ClC1=C(C=CC=C1)N1N=C(C=C1O)C>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=C(C=CC=C1)N1N=C(C=C1OC1=C(C=CC=C1)[N+](=O)[O-])C | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=C2C(=NC=N1)N(N=C2)C2=CC=C(C=C2)S(=O)(=O)C>>CS(=O)(=O)C1=CC=C(C=C1)N1N=CC=2C1=NC=NC2OC2CCNCC2 | 5 |
[CH2:1]([O:3][C:4](=[O:31])[CH2:5][C:6]1[CH:11]=[CH:10][C:9]([O:12][CH3:13])=[C:8]([O:14][C:15]2[CH:20]=[CH:19][C:18]([NH2:21])=[CH:17][C:16]=2[CH2:22][S:23][C:24]2[CH:29]=[CH:28][C:27]([Cl:30])=[CH:26][CH:25]=2)[CH:7]=1)[CH3:2].[C:32](Cl)(=[O:37])[C:33]([CH3:36])([CH3:35])[CH3:34]>>[CH2:1]([O:3][C:4](=[O:31])[CH2:5][C:6]1[CH:11]=[CH:10][C:9]([O:12][CH3:13])=[C:8]([O:14][C:15]2[CH:20]=[CH:19][C:18]([NH:21][C:32](=[O:37])[C:33]([CH3:36])([CH3:35])[CH3:34])=[CH:17][C:16]=2[CH2:22][S:23][C:24]2[CH:25]=[CH:26][C:27]([Cl:30])=[CH:28][CH:29]=2)[CH:7]=1)[CH3:2] | 2 |
C1(\C=C/C(=O)O1)=O.NCCSSCCC(=O)O>C1(=CC=CC=C1)C.C(C)(=O)O>C1(C=CC(N1CCSSCCC(=O)O)=O)=O | 3 |
[OH:1][C:2]1[CH:3]=[CH:4][C:5]([CH3:16])=[C:6]([NH:8][C:9](=[O:15])[O:10][C:11]([CH3:14])([CH3:13])[CH3:12])[CH:7]=1.C(=O)([O-])[O-].[Cs+].[Cs+].Br[C:24]1[CH:25]=[CH:26][C:27]([N+:30]([O-:32])=[O:31])=[N:28][CH:29]=1>CN(C)C=O>[CH3:16][C:5]1[CH:4]=[CH:3][C:2]([O:1][C:24]2[CH:29]=[N:28][C:27]([N+:30]([O-:32])=[O:31])=[CH:26][CH:25]=2)=[CH:7][C:6]=1[NH:8][C:9](=[O:15])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14] | 1 |
COC(C1=C(C=CC=C1CBr)Br)=O.S1C=CC2=NC(=CC=C21)CCN>>BrC=1C=CC=C2CN(C(C12)=O)CCC1=CC=C2C(=N1)C=CS2 | 5 |
[CH2:1]([NH2:3])[CH3:2].Cl[SiH:5]1[N:9]([CH:10]([CH2:12][CH3:13])[CH3:11])[CH:8]=[CH:7][N:6]1[CH:14]([CH2:16][CH3:17])[CH3:15]>CCCCCC>[CH:14]([N:6]1[CH:7]=[CH:8][N:9]([CH:10]([CH2:12][CH3:13])[CH3:11])[SiH:5]1[NH:3][CH2:1][CH3:2])([CH2:16][CH3:17])[CH3:15] | 1 |
Cl[C:2]1[C:3]2[CH:13]=[CH:12][C:11](=[O:14])[N:10]([C:15]3[C:20]([F:21])=[CH:19][CH:18]=[CH:17][C:16]=3[F:22])[C:4]=2[N:5]=[C:6]([S:8][CH3:9])[N:7]=1.[CH3:23][C:24]1[CH:32]=[CH:31][C:27]([C:28]([OH:30])=[O:29])=[CH:26][C:25]=1B1OC(C)(C)C(C)(C)O1.C([O-])([O-])=O.[K+].[K+]>COCCOC.O.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>[F:22][C:16]1[CH:17]=[CH:18][CH:19]=[C:20]([F:21])[C:15]=1[N:10]1[C:4]2[N:5]=[C:6]([S:8][CH3:9])[N:7]=[C:2]([C:25]3[CH:26]=[C:27]([CH:31]=[CH:32][C:24]=3[CH3:23])[C:28]([OH:30])=[O:29])[C:3]=2[CH:13]=[CH:12][C:11]1=[O:14] | 1 |
COC1=C(C(=O)OC)C=CC(=N1)C>>C(C)C(O)C=1C(=NC(=CC1)C)OC | 5 |
CC1=C(C=CC(=C1)OC(CCCCC)C1=NC(=CC=C1)C1=CC=C(C=C1)C(F)(F)F)OCC(=O)OCC>C1CCCO1.CO[H].[OH-].[Na+]>CC1=C(C=CC(=C1)OC(CCCCC)C1=NC(=CC=C1)C1=CC=C(C=C1)C(F)(F)F)OCC(=O)O | 3 |
C(C)(C)(C)OC(=O)N1CCC(CC1)O.ClN1CN=CC=C1>>C(C)(C)OC(C)C.C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=NC=CC=N1 | 5 |
N1=C(C=CC=2CCCNC12)CC(=O)O.COC([C@@H](NC(C1=C(C=CC=C1Cl)Cl)=O)CC1=CC=C(C=C1)N)=O>>ClC1=C(C(=O)N[C@@H](CC2=CC=C(C=C2)NC(CC2=NC=3NCCCC3C=C2)=O)C(=O)OC)C(=CC=C1)Cl | 5 |
[Cl:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([Cl:19])[C:7]=1[CH:8]([O:11][Si:12]([CH2:17][CH3:18])([CH2:15][CH3:16])[CH2:13][CH3:14])[CH2:9][NH2:10].[F:20][C:21]([F:28])([F:27])[C:22]([CH3:26])([CH3:25])[CH:23]=O.CC(O)=O.[BH-](OC(C)=O)(OC(C)=O)OC(C)=O.[Na+]>C(Cl)Cl>[Cl:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([Cl:19])[C:7]=1[CH:8]([O:11][Si:12]([CH2:15][CH3:16])([CH2:17][CH3:18])[CH2:13][CH3:14])[CH2:9][NH:10][CH2:23][C:22]([CH3:26])([CH3:25])[C:21]([F:28])([F:27])[F:20] | 1 |
C([O:8][C:9]1[CH:14]=[C:13](I)[CH:12]=[CH:11][C:10]=1[N:16]1[S:20](=[O:22])(=[O:21])[N:19](CC[Si](C)(C)C)[C:18](=[O:29])[CH2:17]1)C1C=CC=CC=1.I[CH2:31][C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=1[O:38]S(C)(=O)=O>>[OH:8][C:9]1[CH:14]=[C:13]([CH2:31][C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][C:33]=2[OH:38])[CH:12]=[CH:11][C:10]=1[N:16]1[S:20](=[O:21])(=[O:22])[NH:19][C:18](=[O:29])[CH2:17]1 | 1 |
[O:1]=[C:2](Cl)OC(Cl)(Cl)Cl.Cl.[CH3:10][O:11][C:12](=[O:21])[CH:13]([N:18]=[N+]=[N-])[CH2:14][CH2:15][CH2:16][CH3:17]>C(OCC)(=O)C.[Re]([O-])(=O)(=O)=O.[Na+]>[CH3:10][O:11][C:12](=[O:21])[C:13]([N:18]=[C:2]=[O:1])=[CH:14][CH2:15][CH2:16][CH3:17] | 1 |
BrCC(=O)OCC.CC(=O)C=1C(=CC=CC1O)O>C([O-])([O-])=O.[K+].[K+].CC(=O)C>C(C)(=O)C1=C(OCC(=O)OCC)C=CC=C1O | 3 |
C(C)(C)(C)OC(N[C@H]([C@@H](CN(S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])CC(C)C)O)CC1=CC=CC=C1)=O>Cl.O1CCOCC1>Cl.N[C@H]([C@@H](CN(S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])CC(C)C)O)CC1=CC=CC=C1 | 3 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([N:9]([CH2:14][CH:15]2[CH2:17][CH2:16]2)[CH2:10][C:11]([OH:13])=O)=[CH:5][C:4]=1[C:18]([F:21])([F:20])[F:19])#[N:2].[F:22][C:23]1[CH:30]=[CH:29][C:26]([CH2:27][NH2:28])=[CH:25][CH:24]=1>>[C:1]([C:3]1[CH:8]=[CH:7][C:6]([N:9]([CH2:14][CH:15]2[CH2:17][CH2:16]2)[CH2:10][C:11]([NH:28][CH2:27][C:26]2[CH:29]=[CH:30][C:23]([F:22])=[CH:24][CH:25]=2)=[O:13])=[CH:5][C:4]=1[C:18]([F:21])([F:20])[F:19])#[N:2] | 1 |
OCC=1C=C2CCC[C@H](C2=CC1)NC(OC(C)(C)C)=O>>ICC=1C=C2CCCC(C2=CC1)NC(OC(C)(C)C)=O | 5 |
N1[C@H:9]([CH2:10][OH:11])[C@@H:7]([OH:8])[C@H:5]([OH:6])[C@@H:3]([OH:4])C1.[Si:12](/[CH:19]=[CH:20]/[CH2:21]O)([C:15]([CH3:18])([CH3:17])[CH3:16])([CH3:14])[CH3:13].CS([O-])(=O)=[O:25].C(N(CC)CC)C.C[N:36](C)[CH:37]=[O:38]>>[Si:12](/[CH:19]=[CH:20]/[CH2:21][N:36]=[C:37]([OH:38])[C@@H:10]([C@H:9]([C@@H:7]([C@@H:5]([CH2:3][OH:4])[OH:6])[OH:8])[OH:25])[OH:11])([C:15]([CH3:16])([CH3:17])[CH3:18])([CH3:13])[CH3:14] | 1 |
[C:1]([C:3]1[C:4]([N:22]2[CH2:27][CH2:26][CH:25]([C:28](O)=[O:29])[CH2:24][CH2:23]2)=[N:5][C:6]([CH2:14][N:15]2[CH2:20][CH2:19][CH2:18][CH2:17][C:16]2=[O:21])=[C:7]([C:9]([O:11][CH2:12][CH3:13])=[O:10])[CH:8]=1)#[N:2].[F:31][C:32]([F:45])([F:44])[C:33]1[CH:38]=[CH:37][C:36]([CH2:39][S:40]([NH2:43])(=[O:42])=[O:41])=[CH:35][CH:34]=1>>[C:1]([C:3]1[C:4]([N:22]2[CH2:27][CH2:26][CH:25]([C:28](=[O:29])[NH:43][S:40]([CH2:39][C:36]3[CH:35]=[CH:34][C:33]([C:32]([F:31])([F:45])[F:44])=[CH:38][CH:37]=3)(=[O:41])=[O:42])[CH2:24][CH2:23]2)=[N:5][C:6]([CH2:14][N:15]2[CH2:20][CH2:19][CH2:18][CH2:17][C:16]2=[O:21])=[C:7]([CH:8]=1)[C:9]([O:11][CH2:12][CH3:13])=[O:10])#[N:2] | 2 |
[Si:1]([O:8][C:9]1[CH:14]=[CH:13][C:12]([C@@H:15]([N:17]([C:23]([O:25][C:26]2[CH:31]=[CH:30][C:29]([F:32])=[C:28]([CH3:33])[CH:27]=2)=[O:24])[CH2:18][C:19]([O:21][CH3:22])=[O:20])[CH3:16])=[CH:11][CH:10]=1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[N+](CCCC)(CCCC)(CCCC)CCCC.[F-]>C1COCC1>[Si:1]([O:8][C:9]1[CH:10]=[CH:11][C:12]([C@@H:15]([N:17]([C:23]([O:25][C:26]2[CH:31]=[CH:30][C:29]([F:32])=[C:28]([CH3:33])[CH:27]=2)=[O:24])[CH2:18][C:19]([O:21][CH3:22])=[O:20])[CH3:16])=[CH:13][CH:14]=1)([C:4]([CH3:6])([CH3:7])[CH3:5])([CH3:3])[CH3:2].[F:32][C:29]1[CH:30]=[CH:31][C:26]([O:25][C:23]([N:17]([C@H:15]([C:12]2[CH:11]=[CH:10][C:9]([OH:8])=[CH:14][CH:13]=2)[CH3:16])[CH2:18][C:19]([O:21][CH3:22])=[O:20])=[O:24])=[CH:27][C:28]=1[CH3:33] | 2 |
C=C[Mg]Br.FC=1C=C(C=CC1SC)C(C(=O)N(C)OC)CC1CCOCC1>C1CCCO1>FC=1C=C(C=CC1SC)C(C(C=C)=O)CC1CCOCC1 | 3 |
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10]2[S:11][CH:12]=[C:13]([C:15](OCC)=[O:16])[N:14]=2)=[CH:5][C:4]=1[O:20][CH2:21][CH:22]=[C:23]([CH3:25])[CH3:24].[H-].[H-].[H-].[H-].[Li+].[Al+3]>C1COCC1>[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([NH:9][C:10]2[S:11][CH:12]=[C:13]([CH2:15][OH:16])[N:14]=2)=[CH:5][C:4]=1[O:20][CH2:21][CH:22]=[C:23]([CH3:25])[CH3:24] | 1 |
[NH2:1][C:2]1[C:3]([C:12]([NH:14][C:15]2([C:21]([O:23]C)=[O:22])[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]2)=[O:13])=[CH:4][C:5]2[C:10]([CH:11]=1)=[CH:9][CH:8]=[CH:7][CH:6]=2.CO.[OH-].[Na+].Cl>C1COCC1.O>[NH2:1][C:2]1[C:3]([C:12]([NH:14][C:15]2([C:21]([OH:23])=[O:22])[CH2:20][CH2:19][CH2:18][CH2:17][CH2:16]2)=[O:13])=[CH:4][C:5]2[C:10]([CH:11]=1)=[CH:9][CH:8]=[CH:7][CH:6]=2 | 2 |
O1CCC(CC1)OC(C1=C(C=C(C=C1)[N+](=O)[O-])O)=O>>O1CCC(CC1)OC(C1=C(C=C(C=C1)N)O)=O | 5 |
[F:1][C:2]([F:22])([F:21])[O:3][C:4]1[CH:20]=[CH:19][C:7]([CH2:8][N:9]2[C:13]3[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=3[NH:11][C:10]2=[O:18])=[CH:6][CH:5]=1.[N+:23]([C:26]1[CH:33]=[CH:32][C:29]([CH2:30]Br)=[CH:28][CH:27]=1)([O-:25])=[O:24].C(=O)([O-])[O-].[K+].[K+].[I-].[K+].Cl>O.CN(C=O)C>[N+:23]([C:26]1[CH:33]=[CH:32][C:29]([CH2:30][N:11]2[C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=3[N:9]([CH2:8][C:7]3[CH:19]=[CH:20][C:4]([O:3][C:2]([F:1])([F:21])[F:22])=[CH:5][CH:6]=3)[C:10]2=[O:18])=[CH:28][CH:27]=1)([O-:25])=[O:24] | 1 |
C(O)C(C(=O)O)(C)CO>O.CC(C)O.[OH-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(O)C(C(=O)[O-])(C)CO.C(CCC)[N+](CCCC)(CCCC)CCCC | 3 |
[Cl:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[C:4]([N+:9]([O-:11])=[O:10])[CH:3]=1.[Br:12]Br>C(O)(=O)C>[Br:12][C:7]1[C:5]([NH2:6])=[C:4]([N+:9]([O-:11])=[O:10])[CH:3]=[C:2]([Cl:1])[CH:8]=1 | 1 |
[CH:1]1([NH:4][C:5](=[O:23])[C:6]2[CH:11]=[CH:10][C:9]([C:12]3[N:16]4[CH:17]=[C:18]([Cl:22])[CH:19]=[C:20](Cl)[C:15]4=[N:14][CH:13]=3)=[CH:8][CH:7]=2)[CH2:3][CH2:2]1.[CH3:24][CH:25]([CH3:28])[CH2:26][NH2:27].C1(C2C3C(=CC=CC=3)C=CC=2P(C2C=CC=CC=2)C2C=CC=CC=2)C2C(=CC=CC=2)C=CC=1P(C1C=CC=CC=1)C1C=CC=CC=1>CN1C(=O)CCC1.C1(/C=C/C(=O)/C=C/C2C=CC=CC=2)C=CC=CC=1.[Pd]>[Cl:22][C:18]1[CH:19]=[C:20]([NH:27][CH2:26][CH:25]([CH3:28])[CH3:24])[C:15]2[N:16]([C:12]([C:9]3[CH:8]=[CH:7][C:6]([C:5]([NH:4][CH:1]4[CH2:3][CH2:2]4)=[O:23])=[CH:11][CH:10]=3)=[CH:13][N:14]=2)[CH:17]=1 | 2 |
ClCCCO>CN1C=NC=C1>[Cl-].OCCC[N+]1=CN(C=C1)C | 3 |
[S:1]([O:11][C:12]1[CH:28]=[CH:27][CH:26]=[C:14]([O:15][S:16]([C:19]2[CH:25]=[CH:24][C:22]([CH3:23])=[CH:21][CH:20]=2)(=[O:18])=[O:17])[C:13]=1[N+:29]([O-])=O)([C:4]1[CH:10]=[CH:9][C:7]([CH3:8])=[CH:6][CH:5]=1)(=[O:3])=[O:2].[H][H]>C1COCC1.[Ni]>[S:1]([O:11][C:12]1[CH:28]=[CH:27][CH:26]=[C:14]([O:15][S:16]([C:19]2[CH:25]=[CH:24][C:22]([CH3:23])=[CH:21][CH:20]=2)(=[O:18])=[O:17])[C:13]=1[NH2:29])([C:4]1[CH:5]=[CH:6][C:7]([CH3:8])=[CH:9][CH:10]=1)(=[O:3])=[O:2] | 1 |
[NH2:1][C:2]1[N:6]([C:7]2[CH:12]=[CH:11][C:10]([O:13][CH3:14])=[CH:9][CH:8]=2)[N:5]=[CH:4][CH:3]=1.[ClH:15].[N:16](OCCC(C)C)=[O:17]>O1CCCC1>[ClH:15].[NH2:1][C:2]1[N:6]([C:7]2[CH:8]=[CH:9][C:10]([O:13][CH3:14])=[CH:11][CH:12]=2)[N:5]=[CH:4][C:3]=1[N:16]=[O:17] | 1 |
Cl.NCC=1C=C2CN(C(C2=CC1)=O)C1C(NC(CC1)=O)=O.FC(C(=O)O)(C1=C(C=C(C=C1)OC(C)C)C)F>c1ccncc1.P(=O)(Cl)(Cl)Cl.C(O)([O-])=O.[Na+]>O=C1NC(CCC1N1C(C2=CC=C(C=C2C1)CNC(C(C1=C(C=C(C=C1)OC(C)C)C)(F)F)=O)=O)=O | 3 |
CN1CCC(CC1)=O.BrC=1C=C2C=CNC2=CC1>O.CO[H].[OH-].[K+]>BrC=1C=C2C(=CNC2=CC1)C=1CCN(CC1)C | 3 |
O=C1C2=C(C=NN1COCC[Si](C)(C)C)N(C=C2)CC(=O)OCC>O.C1CCCO1.[OH-].[Na+].[H-].[Al+3].[Li+].[H-].[H-].[H-]>OCCN1C=CC2=C1C=NN(C2=O)COCC[Si](C)(C)C | 3 |
[CH3:1][C:2]1[S:3][C:4]([C:7]([NH:9][NH2:10])=O)=[CH:5][N:6]=1.Cl.[CH3:12][NH:13][C:14](=NC)[CH2:15][CH2:16][CH2:17][CH:18]=[CH2:19]>>[CH3:12][N:13]1[C:14]([CH2:15][CH2:16][CH2:17][CH:18]=[CH2:19])=[N:10][N:9]=[C:7]1[C:4]1[S:3][C:2]([CH3:1])=[N:6][CH:5]=1 | 1 |
BrCC1=CC=C(C=C1)CC(=O)O>>C(C)(C)(C)OC(CC1=CC=C(C=C1)CBr)=O | 5 |
[N+:1]([C:4]1[CH:12]=[CH:11][C:7]([C:8]([NH2:10])=[O:9])=[CH:6][CH:5]=1)([O-])=O>C(O)C.[Pd]>[NH2:1][C:4]1[CH:12]=[CH:11][C:7]([C:8]([NH2:10])=[O:9])=[CH:6][CH:5]=1 | 1 |
CO[C:3](=[O:31])[CH2:4][CH2:5][C:6]1[C:7]([NH:22][C:23]2[C:28]([F:29])=[CH:27][CH:26]=[CH:25][C:24]=2[F:30])=[N:8][C:9]([S:20][CH3:21])=[N:10][C:11]=1[C:12]1[CH:17]=[CH:16][C:15]([F:18])=[CH:14][C:13]=1[CH3:19].C[O-].[Na+]>CO>[F:30][C:24]1[CH:25]=[CH:26][CH:27]=[C:28]([F:29])[C:23]=1[N:22]1[C:7]2[N:8]=[C:9]([S:20][CH3:21])[N:10]=[C:11]([C:12]3[CH:17]=[CH:16][C:15]([F:18])=[CH:14][C:13]=3[CH3:19])[C:6]=2[CH2:5][CH2:4][C:3]1=[O:31] | 1 |
Br[C:2]1[CH:3]=[CH:4][C:5]2[NH:11][C:10](=[O:12])[CH2:9][O:8][C:7]([CH3:14])([CH3:13])[C:6]=2[CH:15]=1.Br[C:17]1[C:18]([F:25])=[C:19]([CH:22]=[CH:23][CH:24]=1)[C:20]#[N:21]>>[CH3:13][C:7]1([CH3:14])[C:6]2[CH:15]=[C:2]([C:24]3[CH:23]=[CH:22][C:19]([C:20]#[N:21])=[C:18]([F:25])[CH:17]=3)[CH:3]=[CH:4][C:5]=2[NH:11][C:10](=[O:12])[CH2:9][O:8]1 | 1 |
C(N)(OC)=O.COC(=O)N[C@@H](C(C)C)C(=O)O.N1C(CCC1)C1=NC=C(N1)C=1C=CC2=C(CN(CC3=C2C=CC(=C3)C=3NC(=NC3)C3NCCC3)C)C1>>COC(NC(C(C)C)C(=O)N1C(CCC1)C=1NC(=CN1)C=1C=CC2=C(CN(CC3=C2C=CC(=C3)C=3NC(=NC3)C3N(CCC3)C(C(C(C)C)NC(=O)OC)=O)C)C1)=O | 5 |
FC(C=1C(=C(C=CC1)[C@@H](C)NC=1C2=C(N=CN1)C=NC(=C2)C2(CC2)C=O)F)F>ClCCl.C(C)N(CC)S(F)(F)F>FC(C=1C(=C(C=CC1)C(C)NC=1C2=C(N=CN1)C=NC(=C2)C2(CC2)C(F)F)F)F | 3 |
C(C)OC(=C)[Sn](CCCC)(CCCC)CCCC.ClC=1N=NC(=CC1)Cl>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].BrN1C(CCC1=O)=O.O1CCOCC1>BrCC(=O)C=1N=NC(=CC1)Cl | 3 |
C1(CCCCC1)N1N=C(C=C1CC1=CC=C(C#N)C=C1)C1=CC=C(C=C1)OC(F)(F)F>>C1(CCCCC1)N1N=C(C=C1CC1=CC=C(C(=O)O)C=C1)C1=CC=C(C=C1)OC(F)(F)F | 5 |
ClC1=C(C=C(C=C1)O)NC(C(C(C)=O)CC1=CC=C(C=C1)N1N=CC=C1)=O>O=S(=O)(O)C>ClC=1C=CC(=C2C(=C(C(NC12)=O)CC1=CC=C(C=C1)N1N=CC=C1)C)O | 3 |
C1(=CC=CC=C1)C#CC1=CC2=C(N=C(S2)NC(=O)NCC)C=C1>>C1(=CC=CC=C1)\C=C/C1=CC2=C(N=C(S2)NC(=O)NCC)C=C1 | 5 |
C(OC(C)Cl)(OCC)=O>O.ClCCl.[Br-].[Li+].[Br-].C(CCCCCCCCCCCCCCC)[N+](C)(C)C>C(OCC)(OC(C)Br)=O | 3 |
ClC=1C=CC2=C(C=CC=3C(=NC=CC3)C2(O)C2CCN(CC2)C)C1>S(O)(O)(=O)=O.FC(S(=O)(=O)O)(F)F>ClC=1C=CC2=C(C=CC=3C(=NC=CC3)C2=C2CCN(CC2)C)C1 | 3 |
FC=1C=C(C(=O)Cl)C=CC1.NC=1C=CC(=C(C1)C(=O)C=1C=C2N=CC=NC2=CC1)F>C1CCCO1.C(C)(C)N(C(C)C)CC>FC=1C=C(C(=O)NC2=CC(=C(C=C2)F)C(=O)C=2C=C3N=CC=NC3=CC2)C=CC1 | 3 |
BrC=1C=C(C=CC1)C(C)=O>C(C)OCC.C[Li].[Cl-].[NH4+]>BrC=1C=C(C=CC1)C(C)(C)O | 3 |
O=C1N(C=CC=C1)C1=CC=C(C(=O)O)C=C1.Cl.NCC(=O)N1CCN(CC1)C(C1=C(C=CC=C1)C(F)(F)F)=O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>O=C1N(C=CC=C1)C1=CC=C(C(=O)NCC(N2CCN(CC2)C(C2=C(C=CC=C2)C(F)(F)F)=O)=O)C=C1 | 3 |
[NH:1]([C:105]([O:107][C:108]([CH3:111])([CH3:110])[CH3:109])=[O:106])[C@H:2]([C:9]([NH:11][C@H:12]([C:21]([NH:23][C@H:24]([C:26]([NH:28][C@H:29]([C:33]([NH:35][C@H:36]([C:40]([NH:42][C@H:43]([C:52]([NH:54][C@H:55]([C:63]([NH:65][C@H:66]([C:73]([NH:75][C@H:76]([C:83]([NH:85][C@H:86]([C:96]([O:98]C1C=CC=CC=1)=[O:97])[CH2:87][CH2:88][C:89](=[O:95])[O:90][C:91]([CH3:94])([CH3:93])[CH3:92])=[O:84])[CH2:77][O:78][C:79]([CH3:82])([CH3:81])[CH3:80])=[O:74])[CH2:67][O:68][C:69]([CH3:72])([CH3:71])[CH3:70])=[O:64])[C@@H:56]([CH3:62])[O:57][C:58]([CH3:61])([CH3:60])[CH3:59])=[O:53])[CH2:44][C:45](=[O:51])[O:46][C:47]([CH3:50])([CH3:49])[CH3:48])=[O:41])[CH:37]([CH3:39])[CH3:38])=[O:34])[CH:30]([CH3:32])[CH3:31])=[O:27])[CH3:25])=[O:22])[CH2:13][C:14](=[O:20])[O:15][C:16]([CH3:19])([CH3:18])[CH3:17])=[O:10])[CH2:3][O:4][C:5]([CH3:8])([CH3:7])[CH3:6].OO.[OH-].[Na+].Cl>O>[NH:1]([C:105]([O:107][C:108]([CH3:109])([CH3:110])[CH3:111])=[O:106])[C@H:2]([C:9]([NH:11][C@H:12]([C:21]([NH:23][C@H:24]([C:26]([NH:28][C@H:29]([C:33]([NH:35][C@H:36]([C:40]([NH:42][C@H:43]([C:52]([NH:54][C@H:55]([C:63]([NH:65][C@H:66]([C:73]([NH:75][C@H:76]([C:83]([NH:85][C@H:86]([C:96]([OH:98])=[O:97])[CH2:87][CH2:88][C:89](=[O:95])[O:90][C:91]([CH3:94])([CH3:93])[CH3:92])=[O:84])[CH2:77][O:78][C:79]([CH3:82])([CH3:81])[CH3:80])=[O:74])[CH2:67][O:68][C:69]([CH3:70])([CH3:71])[CH3:72])=[O:64])[C@@H:56]([CH3:62])[O:57][C:58]([CH3:61])([CH3:60])[CH3:59])=[O:53])[CH2:44][C:45](=[O:51])[O:46][C:47]([CH3:50])([CH3:49])[CH3:48])=[O:41])[CH:37]([CH3:38])[CH3:39])=[O:34])[CH:30]([CH3:32])[CH3:31])=[O:27])[CH3:25])=[O:22])[CH2:13][C:14](=[O:20])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:10])[CH2:3][O:4][C:5]([CH3:7])([CH3:8])[CH3:6] | 1 |
C1C(CCC2=CC=CC=C12)N(NC=O)C(=S)N>[OH-].[Na+]>C1C(CCC2=CC=CC=C12)N1N=CNC1=S | 3 |
FC1=C(C=C(C=C1)N1C(=C(C2=C(C=CC=C12)OC)C1CC(CCC1)CC(=O)OCC)C(C)C)C>O.C1CCCO1.CO[H].[OH-].[Li+]>FC1=C(C=C(C=C1)N1C(=C(C2=C(C=CC=C12)OC)C1CC(CCC1)CC(=O)O)C(C)C)C | 3 |
Br[C:2]1[CH:3]=[N:4][C:5]([N:8]2[C:16]3[C:11](=[CH:12][CH:13]=[C:14]([C:17](OC)=[O:18])[CH:15]=3)[C:10]([S:21][CH3:22])=[CH:9]2)=[N:6][CH:7]=1.[F:23][C:24]1[CH:29]=[CH:28][C:27]([CH3:30])=[CH:26][C:25]=1B(O)O.ClC1C=C(C=CC=1)C(OO)=[O:39].[OH-].[Li+].CN(C(ON1N=NC2[CH:58]=[CH:59][CH:60]=[N:61][C:56]1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.N1CCCC1>>[F:23][C:24]1[CH:29]=[CH:28][C:27]([CH3:30])=[CH:26][C:25]=1[C:2]1[CH:7]=[N:6][C:5]([N:8]2[C:16]3[C:11](=[CH:12][CH:13]=[C:14]([C:17]([N:61]4[CH2:60][CH2:59][CH2:58][CH2:56]4)=[O:18])[CH:15]=3)[C:10]([S:21]([CH3:22])=[O:39])=[CH:9]2)=[N:4][CH:3]=1 | 1 |
[C:1]([OH:6])(=O)[C@H:2]([CH3:4])[OH:3].O.ON1C2C=CC=CC=2N=N1.Cl.C(N=C=NCCCN(C)C)C.C(N(CC)CC)C.[CH:37]1([CH2:40][N:41]2[C:49]([N:50]3[CH2:55][CH2:54][NH:53][C@@H:52]([CH3:56])[CH2:51]3)=[N:48][C:47]3[C:42]2=[N:43][C:44]([C:63]2[CH:64]=[N:65][C:66]([NH2:69])=[N:67][CH:68]=2)=[N:45][C:46]=3[N:57]2[CH2:62][CH2:61][O:60][CH2:59][CH2:58]2)[CH2:39][CH2:38]1>C(Cl)Cl.CO.CN(C)C=O>[NH2:69][C:66]1[N:65]=[CH:64][C:63]([C:44]2[N:43]=[C:42]3[C:47]([N:48]=[C:49]([N:50]4[CH2:55][CH2:54][N:53]([C:1](=[O:6])[C@@H:2]([OH:3])[CH3:4])[C@@H:52]([CH3:56])[CH2:51]4)[N:41]3[CH2:40][CH:37]3[CH2:39][CH2:38]3)=[C:46]([N:57]3[CH2:62][CH2:61][O:60][CH2:59][CH2:58]3)[N:45]=2)=[CH:68][N:67]=1 | 1 |
FCC1=NC2=CC=C(C=C2C(N1C1=C(C=CC=C1)C)=O)[N+](=O)[O-]>O.C(Cl)(Cl)(Cl)[H].CO[H].Cl.C(O)([O-])=O.[Na+].[Sn](Cl)Cl>FCC1=NC2=CC=C(C=C2C(N1C1=C(C=CC=C1)C)=O)N | 3 |
OCC1(CC(C=2C(=C(NC2C1)C1=CC=NC=C1)NC1=CC=CC=C1)=O)C>O.C1CCCO1.[N-]=[N+]=[N-].[Na+].C1CCC2=NCCCN2CC1.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>C[C@]12[C@H](C(C=3C(=C(NC3C1)C1=CC=NC=C1)NC1=CC=CC=C1)=O)C2 | 3 |
ClC1(CCN(CC1)C1=NC=C(C=N1)F)C(=O)OCC>O.C1CCCO1.[OH-].[Li+]>ClC1(CCN(CC1)C1=NC=C(C=N1)F)C(=O)O | 3 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)Cl.OCC[C@H]1N(C[C@@H]2C[C@@H]2C1)C(=O)OC(C)(C)C>>CC(C)(C)[Si](OCC[C@H]1N(C[C@@H]2C[C@@H]2C1)C(=O)OC(C)(C)C)(C1=CC=CC=C1)C1=CC=CC=C1 | 5 |
Br[CH2:2][C:3]([C:5]12[CH2:14][CH:9]3[CH2:10][CH:11]([CH2:13][CH:7]([CH2:8]3)[CH2:6]1)[CH2:12]2)=[O:4].[Cl:15][C:16]1[CH:21]=[CH:20][C:19]([Cl:22])=[CH:18][C:17]=1[SH:23]>C(#N)C.C(N(CC)CC)C>[C:5]12([C:3](=[O:4])[CH2:2][S:23][C:17]3[CH:18]=[C:19]([Cl:22])[CH:20]=[CH:21][C:16]=3[Cl:15])[CH2:14][CH:9]3[CH2:10][CH:11]([CH2:13][CH:7]([CH2:8]3)[CH2:6]1)[CH2:12]2 | 2 |
Cl.[CH3:2][C:3]1[N:4]=[CH:5][NH:6][C:7]=1[CH2:8][Cl:9].[OH2:10]>>[ClH:9].[CH3:2][C:3]1[N:4]=[CH:5][NH:6][C:7]=1[CH2:8][OH:10] | 1 |
[C:1]1([C:7]2[CH:15]=[C:14]3[C:10]([CH2:11][C:12](=[O:16])[NH:13]3)=[CH:9][CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH:17]([C:19]1[NH:23][C:22]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][C:21]=2[C:20]=1[CH2:29][CH2:30][C:31]([OH:33])=[O:32])=O.N1CCCCC1>C(O)C>[O:16]=[C:12]1[NH:13][C:14]2[C:10](/[C:11]/1=[CH:17]/[C:19]1[NH:23][C:22]3[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][C:21]=3[C:20]=1[CH2:29][CH2:30][C:31]([OH:33])=[O:32])=[CH:9][CH:8]=[C:7]([C:1]1[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1)[CH:15]=2 | 2 |
COC1=CC=C(C=C1)C1=CC=C(C=C1)C=1C=CC=2N(N1)C=C(N2)C>N(C)(C)C=O.BrN1C(CCC1=O)=O>BrC1=C(N=C2N1N=C(C=C2)C2=CC=C(C=C2)C2=CC=C(C=C2)OC)C | 3 |
CC1=C(C=CC=2NC(OC21)=O)[N+](=O)[O-]>CO[H].[HH].[Pd]>NC1=C(C2=C(NC(O2)=O)C=C1)C | 3 |
ClCC1=CC=C(C(=O)C2=C(C=C(N2CC)C(=O)OCC)C)C=C1>>ClCC1=CC=C(C=C1)C(C1=C(C=C(N1CC)C(=O)OCC)C)O | 5 |
CN(C(=O)Cl)C.Cl.ClC=1N=C(C2=C(N1)CNCC2)Cl>O.ClCCl.CCN(CC)CC>ClC=1N=C(C2=C(N1)CN(CC2)C(=O)N(C)C)Cl | 3 |
C(C)(=O)C1=CN(C2=CC=C(C=C12)OC1=NC=C(C=N1)Br)CC(=O)OC(C)(C)C>>C(C)(=O)C1=CN(C2=CC=C(C=C12)OC1=NC=C(C=N1)Br)CC(=O)O | 5 |
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