smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
BrC=1C=CC(=NC1)F.C(C)(C)(C)OC(CC1CCNCC1)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC=1C=CC(=NC1)N1CCC(CC1)CC(=O)OC(C)(C)C | 3 |
BrCC#N.C1(=CC=CC=C1)C(CCNC(C1=CN=C(C=C1)O)=O)C1=CC=CC=C1>>C1(=CC=CC=C1)C(CCNC(=O)C1=CN(C(C=C1)=O)CC#N)C1=CC=CC=C1 | 5 |
[Br:1][C:2]1[C:3](OC)=[C:4]([C:17]#[N:18])[C:5](=O)[N:6]([CH:8]([CH:13]2[CH2:15][CH2:14]2)[C:9]([F:12])([F:11])[F:10])[CH:7]=1.[OH2:21].[NH2:22][NH2:23]>C(O)C>[NH2:18][C:17]1[C:4]2[C:5](=[O:21])[N:6]([CH:8]([CH:13]3[CH2:15][CH2:14]3)[C:9]([F:12])([F:10])[F:11])[CH:7]=[C:2]([Br:1])[C:3]=2[NH:23][N:22]=1 | 2 |
[F:1][C:2]([F:35])([F:34])[S:3]([O:6][C:7]1[CH:12]=[CH:11][C:10]([C:13]2[N:17]([C:18]3[CH:23]=[CH:22][C:21]([S:24]([CH3:27])(=[O:26])=[O:25])=[C:20]([F:28])[CH:19]=3)[N:16]=[C:15]([C:29]([F:32])([F:31])[F:30])[CH:14]=2)=[CH:9][C:8]=1[CH3:33])(=[O:5])=[O:4].[Cl:36]N1C(=O)CCC1=O.O>CN(C=O)C>[F:35][C:2]([F:1])([F:34])[S:3]([O:6][C:7]1[CH:12]=[CH:11][C:10]([C:13]2[N:17]([C:18]3[CH:23]=[CH:22][C:21]([S:24]([CH3:27])(=[O:25])=[O:26])=[C:20]([F:28])[CH:19]=3)[N:16]=[C:15]([C:29]([F:30])([F:31])[F:32])[C:14]=2[Cl:36])=[CH:9][C:8]=1[CH3:33])(=[O:5])=[O:4] | 1 |
BrC=1C=C2C(=NC1)NC(=N2)CC#N>CO[H].CCN(CC)CC.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]>C(#N)CC1=NC=2C(=NC=C(C2)C(=O)OC)N1 | 3 |
BrC1=C(C=C(C=C1)S(=O)(=O)Cl)C>>BrC1=C(C=C(C=C1)S(=O)(=O)N)C | 5 |
[O-]P([O-])([O-])=O.[K+].[K+].[K+].FC(F)(S(O[C:25]1[CH:34]=[CH:33][C:32]2[C:27](=[CH:28][CH:29]=[C:30]([C:35]3[CH:40]=[C:39]([N:41]4[CH:46]=[CH:45][C:44](=[O:47])[NH:43][C:42]4=[O:48])[CH:38]=[C:37]([C:49]([CH3:52])([CH3:51])[CH3:50])[C:36]=3[O:53][CH3:54])[CH:31]=2)[CH:26]=1)(=O)=O)C(F)(F)C(F)(F)C(F)(F)F.[CH3:56][S:57]([NH2:60])(=[O:59])=[O:58]>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(P(C(C)(C)C)C1C(OC)=CC=C(OC)C=1C1C(C(C)C)=CC(C(C)C)=CC=1C(C)C)(C)(C)C.C(OCC)(=O)C>[C:49]([C:37]1[C:36]([O:53][CH3:54])=[C:35]([C:30]2[CH:31]=[C:32]3[C:27](=[CH:28][CH:29]=2)[CH:26]=[C:25]([NH:60][S:57]([CH3:56])(=[O:59])=[O:58])[CH:34]=[CH:33]3)[CH:40]=[C:39]([N:41]2[CH:46]=[CH:45][C:44](=[O:47])[NH:43][C:42]2=[O:48])[CH:38]=1)([CH3:51])([CH3:50])[CH3:52] | 1 |
CC1=C(N=C(N1)C1=CC=C(C=C1)C(F)(F)F)CO>>ClCC=1N=C(NC1C)C1=CC=C(C=C1)C(F)(F)F | 5 |
C(C)(=O)N(C(OC(C)(C)C)=O)C=1N=C(OC1C)C=1C=NC(=CC1NC(C)C)NC1=CC2=C(N=CS2)C=C1>>S1C=NC2=C1C=C(C=C2)NC2=CC(=C(C=N2)C=2OC(=C(N2)NC(C)=O)C)NC(C)C | 5 |
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([S:8](Cl)(=[O:10])=[O:9])=[N:6][CH:7]=1.[CH3:12][NH:13][CH:14]1[CH2:19][CH2:18][S:17](=[O:21])(=[O:20])[CH2:16][CH2:15]1.CCN(C(C)C)C(C)C>C(Cl)Cl>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([S:8]([N:13]([CH:14]2[CH2:19][CH2:18][S:17](=[O:21])(=[O:20])[CH2:16][CH2:15]2)[CH3:12])(=[O:10])=[O:9])=[N:6][CH:7]=1 | 2 |
FC=1C=C(C(=O)O)C=CC1N1CCN(CC1)C>C1CCCO1.CCN(CC)CC.N.C(C(C)C)OC(=O)Cl>FC=1C=C(C(=O)N)C=CC1N1CCN(CC1)C | 3 |
ClCCNCCCl.FC=1C=C(N)C=CC1SC>ClC1=CC=CC=C1>FC=1C=C(C=CC1SC)N1CCNCC1 | 3 |
Cl[C:2]1[NH:7][C:6]2=[C:8]([CH:11]3[CH2:15][CH2:14][CH2:13][CH2:12]3)[O:9][N:10]=[C:5]2[C:4](=[O:16])[N:3]=1.[NH2:17][CH:18]([C:22]1[CH:27]=[CH:26][CH:25]=[C:24]([Cl:28])[CH:23]=1)[CH2:19][CH2:20][OH:21].CCN(C(C)C)C(C)C>C(O)CCC>[Cl:28][C:24]1[CH:23]=[C:22]([CH:18]([NH:17][C:2]2[NH:3][C:4](=[O:16])[C:5]3[C:6](=[C:8]([CH:11]4[CH2:15][CH2:14][CH2:13][CH2:12]4)[O:9][N:10]=3)[N:7]=2)[CH2:19][CH2:20][OH:21])[CH:27]=[CH:26][CH:25]=1 | 2 |
N(=[N+]=[N-])C1=CC=C(C(=O)O)C=C1.ClC1=C(NC(=C1Cl)C)C(=O)NC1=CC=C(C=C1)C#C>>ClC1=C(NC(=C1Cl)C)C(=O)NC1=CC=C(C=C1)C=1N=NN(C1)C1=CC=C(C(=O)O)C=C1 | 5 |
CN.COC(C1=C(N=C(C=C1)Cl)Cl)=O>C(C)(C)N(C(C)C)CC>COC(C1=C(N=C(C=C1)Cl)NC)=O | 3 |
B(C1=CC(=CC=C1)C(=O)N)(O)O.NC1=NC=C(N=C1C1=CC=C(C=C1)O)Br>>NC=1N=CC(=NC1C1=CC=C(C=C1)O)C=1C=C(C(=O)N)C=CC1 | 5 |
CNC(=O)C1=NC=C(C=C1)B1OC(C(O1)(C)C)(C)C.BrC=1C=NN2C1C=C(C=C2)C(=O)N(C2=NC=C(C=C2)F)CC>>C(C)N(C(=O)C1=CC=2N(C=C1)N=CC2C=2C=NC(=CC2)C(NC)=O)C2=NC=C(C=C2)F | 5 |
BrCC(=O)Br.C(C1=CC=CC=C1)NC(CC)CC>ClCCl.CCN(CC)CC>C(C1=CC=CC=C1)N(C(CBr)=O)C(CC)CC | 3 |
CC[Mg+].[Br-].COC1=C(C=CC=C1)C(C1(OC1)C(F)(F)F)C1=CC=CC=2C(=CC=CC12)N>[Cu]I.C1CCCO1.C(C)OCC>COC1=C(C=CC=C1)C(C1(OC1)C(F)(F)F)C1=C(C2=CC=CC=C2C=C1)N | 3 |
[F:1][CH:2]([F:23])[C:3]1[N:8]=[C:7]([C:9]([F:12])([F:11])[F:10])[C:6]([C:13]([O:15][CH2:16][CH3:17])=[O:14])=[C:5](Cl)[C:4]=1[C:19]([O:21][CH3:22])=[O:20].[CH:24]1([SH:29])[CH2:28][CH2:27][CH2:26][CH2:25]1.[H-].[Na+]>C1COCC1>[CH:24]1([S:29][C:5]2[C:4]([C:19]([O:21][CH3:22])=[O:20])=[C:3]([CH:2]([F:23])[F:1])[N:8]=[C:7]([C:9]([F:12])([F:11])[F:10])[C:6]=2[C:13]([O:15][CH2:16][CH3:17])=[O:14])[CH2:28][CH2:27][CH2:26][CH2:25]1 | 1 |
C(=O)C1=CNC2=CC=CC=C12.C(C)(C)(C)OC(CN1C2=C(N3C(=NN=C3CC1=O)C1=CC=CC=C1)C=CC=C2)=O>>C(C)(C)(C)OC(CN1C2=C(N3C(=NN=C3C(C1=O)=CC1=CNC3=CC=CC=C13)C1=CC=CC=C1)C=CC=C2)=O | 5 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC1CC(N(CC1)C(=O)OC(C)(C)C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC1CC(NCC1)(C)C | 3 |
[CH3:1][C:2]1[CH:7]=[C:6]([CH3:8])[CH:5]=[C:4]([NH2:9])[C:3]=1[NH2:10].[C:11]([O-])(O)=O.[Na+]>C(O)=O.O>[CH3:1][C:2]1[C:3]2[N:10]=[CH:11][NH:9][C:4]=2[CH:5]=[C:6]([CH3:8])[CH:7]=1 | 1 |
OC=1C=C(C(=O)O)C=C(C1O)[N+](=O)[O-]>>OC=1C=C(C(=O)OC)C=C(C1O)[N+](=O)[O-] | 5 |
BrC1=C(C=C(C=C1)N)OC.ClC=1N=C(C2=C(N1)C(CC2)C2=CC=CC=C2)NC>>BrC1=C(C=C(C=C1)NC=1N=C(C2=C(N1)C(CC2)C2=CC=CC=C2)NC)OC | 5 |
[CH:1]([C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:14]=[C:13]([C:15]3[N:19]4[CH:20]=[CH:21][CH:22]=[CH:23][C:18]4=[N:17][C:16]=3[C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][N:25]=3)[CH:12]=[CH:11][N:10]=2)=[CH:5][CH:4]=1)=O.[NH:30]1[CH2:35][CH2:34][O:33][CH2:32][CH2:31]1>>[N:30]1([CH2:1][C:3]2[CH:4]=[CH:5][C:6]([C:9]3[CH:14]=[C:13]([C:15]4[N:19]5[CH:20]=[CH:21][CH:22]=[CH:23][C:18]5=[N:17][C:16]=4[C:24]4[CH:29]=[CH:28][CH:27]=[CH:26][N:25]=4)[CH:12]=[CH:11][N:10]=3)=[CH:7][CH:8]=2)[CH2:35][CH2:34][O:33][CH2:32][CH2:31]1 | 2 |
[CH3:1][O:2][S:3]([O-:6])(=[O:5])=[O:4].[CH3:7][S+:8]([CH3:26])[C:9]1[CH:14]=[CH:13][C:12]([C:15](=[O:25])[C:16]([CH3:24])([NH+:18]2[CH2:23][CH2:22][O:21][CH2:20][CH2:19]2)[CH3:17])=[CH:11][CH:10]=1.COS([O-])(=O)=O.[OH-].[Na+].C(=O)([O-])[O-].[Na+].[Na+]>>[CH3:1][O:2][S:3]([O-:6])(=[O:5])=[O:4].[CH3:26][S+:8]([CH3:7])[C:9]1[CH:14]=[CH:13][C:12]([C:15](=[O:25])[C:16]([CH3:17])([N:18]2[CH2:19][CH2:20][O:21][CH2:22][CH2:23]2)[CH3:24])=[CH:11][CH:10]=1 | 2 |
CN1N(C(C(=C1C)C(=O)NC1=CC(=C(OC2=CC(=NC=C2)C(=O)N)C=C1F)F)=O)C1=CC=CC=C1>>NC1=NC=CC(=C1)OC1=CC(=C(C=C1F)NC(=O)C=1C(N(N(C1C)C)C1=CC=CC=C1)=O)F | 5 |
[N+](=O)([O-])C1=CC=C(C=C1)S(=O)(=O)O.ClC=CCl>O=P13OP2(=O)OP(=O)(O1)OP(=O)(O2)O3>[N+](=O)([O-])C1=CC=C(C=C1)S(=O)(=O)OS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-] | 3 |
C(OC(=O)[NH:7][C:8]1[CH:13]=[C:12]([N:14]([CH3:16])[CH3:15])[C:11]([C:17]([F:20])([F:19])[F:18])=[CH:10][C:9]=1[NH:21][C:22](=[O:39])[CH2:23][C:24]([C:26]1[CH:31]=[CH:30][CH:29]=[C:28]([C:32]2[N:33]=[N:34][C:35]([CH3:38])=[CH:36][CH:37]=2)[CH:27]=1)=O)(C)(C)C.C(O)(C(F)(F)F)=O>C(Cl)Cl>[CH3:15][N:14]([CH3:16])[C:12]1[C:11]([C:17]([F:20])([F:18])[F:19])=[CH:10][C:9]2[NH:21][C:22](=[O:39])[CH2:23][C:24]([C:26]3[CH:31]=[CH:30][CH:29]=[C:28]([C:32]4[N:33]=[N:34][C:35]([CH3:38])=[CH:36][CH:37]=4)[CH:27]=3)=[N:7][C:8]=2[CH:13]=1 | 1 |
[CH2:1]=[CH:2][C:3](=[CH2:5])[CH3:4].[CH:6]([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][N:9]=1)=[CH2:7].C([Li])(CC)C>>[CH2:1]=[CH:2][C:3](=[CH2:4])[CH3:5].[CH:6]([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][N:9]=1)=[CH2:7] | 1 |
C(C)I.C(C)OC(COC1=C(C=C(C=C1C)NCC1=C(N=C(S1)C1=CC=C(C=C1)C(F)(F)F)C)C)=O>>C(C)OC(COC1=C(C=C(C=C1C)N(CC1=C(N=C(S1)C1=CC=C(C=C1)C(F)(F)F)C)CC)C)=O | 5 |
O.[C:2]1([CH3:12])[CH:7]=[CH:6][C:5](S(O)(=O)=O)=[CH:4][CH:3]=1.[CH3:13][O:14][CH:15]([O:19]C)[CH2:16][C:17]#[N:18].C(O)[C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1.C1(C)C=CC=CC=1>C(N(CC)CC)C>[CH2:12]([O:19][CH:15]([O:14][CH2:13][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)[CH2:16][C:17]#[N:18])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
CC1=CC=C(C=C1)S(=O)(=O)OCCOS(=O)(=O)C1=CC=C(C=C1)C.C(C1=CC=CC=C1)OC=1C=C(C=NC1)[C@H](CC(=O)OC)NC(=O)[C@H]1CN(CCC1)C(CCC1CCN(CC1)C(=O)OC(C)(C)C)=O>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+]>COC(C[C@@H](C=1C=NC=C(C1)OCCOS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)[C@H]1CN(CCC1)C(CCC1CCN(CC1)C(=O)OC(C)(C)C)=O)=O | 3 |
CSCCC(=O)Cl.CC=1N(C=C(N1)C=1C=NC=CC1)NCC#C>ClCCl.C(C)(C)N(C(C)C)CC>CC=1N(C=C(N1)C=1C=NC=CC1)N(C(CC(C)SC)=O)CC#C | 3 |
FC1=C(C(=O)O)C=C(C(=C1)C)C=C>[HH].[Pd]>C(C)C=1C(=CC(=C(C(=O)O)C1)F)C | 3 |
C(OC(C1N=C(C2[CH2:16][CH2:15][N:14]([C:17](=[O:29])[CH2:18][N:19]3[C:23]([CH3:24])=[CH:22][C:21]([C:25]([F:28])([F:27])[F:26])=[N:20]3)[CH2:13][CH2:12]2)SC=1)=O)C.Cl.N1(C2SC=C(C(O)=O)N=2)CCNCC1.Cl.[N:46]1([C:52]2[S:53][CH:54]=[C:55]([C:57]([O:59][CH2:60][CH3:61])=[O:58])[N:56]=2)CCNCC1.C(=O)([O-])[O-].[K+].[K+]>ClCCl.C(N(CC)CC)C>[CH2:60]([O:59][C:57]([C:55]1[N:56]=[C:52]([N:46]2[CH2:12][CH2:13][N:14]([C:17](=[O:29])[CH2:18][N:19]3[C:23]([CH3:24])=[CH:22][C:21]([C:25]([F:26])([F:27])[F:28])=[N:20]3)[CH2:15][CH2:16]2)[S:53][CH:54]=1)=[O:58])[CH3:61] | 1 |
[C:1]1([C:7]2([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)[CH2:12][CH2:11][C:10](=[O:13])[CH:9]([CH:14]=[O:15])[CH2:8]2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.ClC1C(=O)C(C#N)=C(C#N)C(=O)C=1Cl>O1CCOCC1>[C:1]1([C:7]2([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)[CH2:12][CH2:11][C:10](=[O:13])[C:9]([CH:14]=[O:15])=[CH:8]2)[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1 | 1 |
C(C)(C)(C)OC(=O)N1CCNCCC1.BrC1=C(C=C(C=C1)C)C>>C(C)(C)(C)OC(=O)N1CCN(CCC1)C1=C(C=C(C=C1)C)C | 5 |
OCP(O)(O)=O>ClS(Cl)=O.c1ccncc1.CCO[H].C1=CC=CC=C1>ClCP(OCC)(OCC)=O | 3 |
ClC1=CC=C(C=O)C=C1.CC=1N(C=CN1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>C1CCCO1.C(CCC)[Li]>ClC1=CC=C(C=C1)C(CC=1N(C=CN1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)O | 3 |
C(C)(=O)OCCCCN1C=CC=2N=CN=C(C21)Cl.ClC=1C=C(N)C=CC1OC1=CC(=CC=C1)C(F)(F)F>>C(C)(=O)OCCCCN1C=CC=2N=CN=C(C21)NC2=CC(=C(C=C2)OC2=CC(=CC=C2)C(F)(F)F)Cl | 5 |
C(#N)CNC(=O)[C@H]1[C@@H](CCC1)C(=O)O>>C(#N)CNC(=O)[C@H]1[C@@H](CCC1)CO | 5 |
[Br:1][C:2]1[CH:3]=[CH:4]C(C#N)=[N:6][CH:7]=1.[OH-].[Na+].N.[C:13]([OH:16])(=[O:15])[CH3:14]>C(O)C.O>[Br:1][C:2]1[CH:3]=[CH:4][C:14]([C:13]([OH:16])=[O:15])=[N:6][CH:7]=1 | 1 |
ClC=1C=C(C=CC1C(=O)N1CCN(CC1)C(CCl)=O)NC(=O)C=1N(C(=CN1)C1=C(C(=C(C=C1)OC)F)F)C>CC#N.C1CCNC1.[I-].[Na+].C(C)(C)N(C(C)C)CC>C(=O)O.ClC=1C=C(C=CC1C(=O)N1CCN(CC1)C(CN1CCCC1)=O)NC(=O)C=1N(C(=CN1)C1=C(C(=C(C=C1)OC)F)F)C | 3 |
Br[C:2]1[CH:7]=[CH:6][C:5]([CH:8]([C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[C:9]([O:11][CH3:12])=[O:10])=[CH:4][CH:3]=1.[CH3:19][O:20][C:21]1[CH:26]=[CH:25][C:24](B(O)O)=[CH:23][CH:22]=1.C(=O)([O-])[O-].[K+].[K+]>COCCOC.O.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>[CH3:19][O:20][C:21]1[CH:26]=[CH:25][C:24]([C:2]2[CH:7]=[CH:6][C:5]([CH:8]([C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=3)[C:9]([O:11][CH3:12])=[O:10])=[CH:4][CH:3]=2)=[CH:23][CH:22]=1 | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([F:8])=[CH:4][N+:3]=1[O-:9].S(=O)(=O)(O)O.[N+:15]([O-])([O-:17])=[O:16].[K+].[OH-].[NH4+]>>[Cl:1][C:2]1[CH:7]=[C:6]([N+:15]([O-:17])=[O:16])[C:5]([F:8])=[CH:4][N+:3]=1[O-:9] | 1 |
CC1=NN(C=N1)C1=CC=C(N)C=C1>CC#N.N(=O)OC(C)(C)C.[Cu]Br>BrC1=CC=C(C=C1)N1N=C(N=C1)C | 3 |
ClC=1C=C(C=CC1Cl)NC1=NC=NC2=CC(=C(C=C12)OC)OCC=1N=C(SC1)C1CCNCC1>>Cl.ClC=1C=C(C=CC1Cl)NC1=NC=NC2=CC(=C(C=C12)OC)OCC=1N=C(SC1)C1CCN(CC1)C | 5 |
C(C)SC1=C(\C=N\CCCC(=O)OCC)C=C(C=C1)[N+](=O)[O-]>>C(C)SC1=C(C=C(C=C1)[N+](=O)[O-])C1NCCC1C(=O)OCC | 5 |
C([N:8](CC1C=CC=CC=1)[C:9]1[CH:18]=[CH:17][CH:16]=C[C:10]=1[C:11](OC)=[O:12])C1C=CC=CC=1.[Cl-].[Li+].[CH:28]([Mg]Cl)(C)C.[CH3:33][C:34]([CH3:36])=[O:35].C(=O)([O-])O.[Na+]>>[NH2:8][C:9]1[CH:18]=[CH:17][CH:16]=[C:33]2[C:10]=1[C:11](=[O:12])[O:35][C:34]2([CH3:28])[CH3:36] | 2 |
ClCCCN(C[C@H](CNC(OC(C)(C)C)=O)O)C>CC#N.O.[I-].[K+].[N-]=[N+]=[N-].[Na+].C(O)([O-])=O.[Na+]>N(=[N+]=[N-])CCCN(C[C@H](CNC(OC(C)(C)C)=O)O)C | 3 |
C(C)OC(/C(=C/C(CC(C)(C)C)=O)/O)=O>>CC(CC1=CC(=NO1)C(=O)O)(C)C | 5 |
[CH3:1][O:2][C:3]1[CH:12]=[C:11]2[C:6]([C:7]([CH:13]([C:15]3[CH:20]=[CH:19][C:18]([N+:21]([O-:23])=[O:22])=[CH:17][CH:16]=3)[OH:14])=[CH:8][CH:9]=[N:10]2)=[CH:5][CH:4]=1>C(Cl)(Cl)Cl.[O-2].[O-2].[Mn+4]>[CH3:1][O:2][C:3]1[CH:12]=[C:11]2[C:6]([C:7]([C:13]([C:15]3[CH:20]=[CH:19][C:18]([N+:21]([O-:23])=[O:22])=[CH:17][CH:16]=3)=[O:14])=[CH:8][CH:9]=[N:10]2)=[CH:5][CH:4]=1 | 1 |
[CH3:1][N:2]1[CH2:22][CH2:21][C:5]2[N:6]([CH2:14][CH2:15][C:16]([O:18]CC)=[O:17])[C:7]3[CH:8]=[CH:9][C:10]([CH3:13])=[CH:11][C:12]=3[C:4]=2[CH2:3]1.[OH-].[Na+].Cl>C(O)C>[CH3:1][N:2]1[CH2:22][CH2:21][C:5]2[N:6]([CH2:14][CH2:15][C:16]([OH:18])=[O:17])[C:7]3[CH:8]=[CH:9][C:10]([CH3:13])=[CH:11][C:12]=3[C:4]=2[CH2:3]1 | 1 |
[OH:1][C:2]1[NH:3][C:4](=[O:16])[C:5]2[C:14]([CH:15]=1)=[N:13][CH:12]=[C:11]1[C:6]=2[CH:7]=[CH:8][CH:9]=[CH:10]1.C(=O)([O-])[O-].[K+].[K+].[CH2:23](Br)[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1>CN(C=O)C>[CH2:23]([O:1][C:2]1[NH:3][C:4](=[O:16])[C:5]2[C:14]([CH:15]=1)=[N:13][CH:12]=[C:11]1[C:6]=2[CH:7]=[CH:8][CH:9]=[CH:10]1)[C:24]1[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1 | 1 |
[OH:1][CH2:2][CH2:3][CH:4]1[O:9][C:8]2[CH:10]=[CH:11][CH:12]=[CH:13][C:7]=2[O:6][CH2:5]1.[S:14](Cl)([OH:17])(=O)=[O:15].[C:19]1([CH3:25])[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>N1C=CC=CC=1.O>[C:19]1([CH3:25])[CH:24]=[CH:23][C:22]([S:14]([O:1][CH2:2][CH2:3][CH:4]2[O:9][C:8]3[CH:10]=[CH:11][CH:12]=[CH:13][C:7]=3[O:6][CH2:5]2)(=[O:17])=[O:15])=[CH:21][CH:20]=1 | 1 |
[F:1][C:2]1[CH:10]=[C:9]2C([C:6](=[CH2:13])[CH:7](O)[C:8]2=O)=CC=1.[NH:14]([CH2:16][CH:17](O)[CH3:18])[NH2:15].[OH2:20].[C:21]1(C)[CH:26]=CC=C[CH:22]=1>C1(C)C=CC(S(O)(=O)=O)=CC=1>[F:1][C:2]1[CH:10]=[CH:9][CH2:8][C:7]2[C:18]=1[CH:17]=[C:16]1[C:6]=2[CH:13]=[N:15][N:14]1[CH2:22][CH:21]([OH:20])[CH3:26] | 1 |
C(C1=CC=CC=C1)C1CCC(CC1)CC1=CC=CC=C1>O(O[H])[H].C1CCCCC1.Br>BrC(C1=CC=CC=C1)C1CCC(CC1)C(C1=CC=CC=C1)Br | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[N:9]=[C:8](OC1C=CC(N)=CC=1)[CH:7]=[CH:6]2.[F:23][C:24]1[CH:30]=[CH:29][C:27]([NH2:28])=[CH:26][CH:25]=1.CC[N:33]([CH:37]([CH3:39])[CH3:38])C(C)C.[CH2:40]([N:47]1[CH2:50][C:49]([C:54]([OH:56])=[O:55])([C:51]([OH:53])=[O:52])[CH2:48]1)[C:41]1[CH:46]=[CH:45][CH:44]=[CH:43][CH:42]=1>CN(C=O)C.C(OCC)(=O)C>[CH2:40]([N:47]1[CH2:48][C:49]([C:51]([OH:53])=[O:52])([C:54]([OH:56])=[O:55])[CH2:50]1)[C:41]1[CH:42]=[CH:43][CH:44]=[CH:45][CH:46]=1.[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[N:9]=[CH:8][CH:7]=[C:6]2[O:2][C:3]1[CH:4]=[CH:38][C:37]([NH:33][C:54]([C:49]2([C:51]([NH:28][C:27]3[CH:29]=[CH:30][C:24]([F:23])=[CH:25][CH:26]=3)=[O:53])[CH2:48][N:47]([CH2:40][C:41]3[CH:42]=[CH:43][CH:44]=[CH:45][CH:46]=3)[CH2:50]2)=[O:56])=[CH:39][CH:12]=1 | 1 |
[CH3:1][O:2][C:3]([O:19][CH3:20])([C:7]1[CH:16]=[CH:15][C:14]2[C:9](=[CH:10][CH:11]=[C:12]([O:17][CH3:18])[CH:13]=2)[CH:8]=1)[CH:4]([OH:6])[CH3:5].C(N(CC)CC)C.[CH3:28][S:29](Cl)(=[O:31])=[O:30].Cl.C(N(CC)CC)C>C1(C)C=CC=CC=1.O>[CH3:28][S:29]([O:6][CH:4]([CH3:5])[C:3]([O:19][CH3:20])([O:2][CH3:1])[C:7]1[CH:16]=[CH:15][C:14]2[C:9](=[CH:10][CH:11]=[C:12]([O:17][CH3:18])[CH:13]=2)[CH:8]=1)(=[O:31])=[O:30] | 1 |
CS(=O)(=O)Cl.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)C1CCNCC1)=O)C)CO>>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)C1CCN(CC1)S(=O)(=O)C)=O)C)CO | 5 |
C1(=CC=CC=C1)N=C=O.C1(=CC=CC=C1)C1=NSC(=N1)N1CCNCC1>C1CCCO1.CCN(CC)CC>C1(=CC=CC=C1)NC(=O)N1CCN(CC1)C1=NC(=NS1)C1=CC=CC=C1 | 3 |
[Br-].C[Mg+].BrC1(NC=CC=C1)C#N>>BrC=1C=CC(=NC1)C(=C)NC(C)=O | 5 |
FC1=C(C=C(C=C1)C(C)=O)[N+](=O)[O-].C(C)C=1C(=CC(=C(C1)N)OC)OC>>C(C)C=1C(=CC(=C(C1)NC1=C(C=C(C=C1)C(C)=O)[N+](=O)[O-])OC)OC | 5 |
C(C1=CC=CC=C1)OC=1C=C2C(=CNC2=CC1)C(CC1CCN(CC1)C(=O)OCC1=CC=CC=C1)=O>>C(C1=CC=CC=C1)OC=1C=C2C(=CNC2=CC1)C(CC1CCNCC1)=O | 5 |
C1=CC=C(C=C1)[C@@H]2[C@H](O2)CO.C(C)OC1=C(C=CC=C1)O>O.[OH-].[Na+].[Cl-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C)OC1=C(O[C@H]([C@@H](CO)O)C2=CC=CC=C2)C=CC=C1 | 3 |
[Cl-].[Cl-].[CH2:3]([Ta+2:8]([CH2:14][C:15]([CH3:18])([CH3:17])[CH3:16])[CH2:9][C:10]([CH3:13])([CH3:12])[CH3:11])[C:4]([CH3:7])([CH3:6])[CH3:5].[CH2:19]([Li])[C:20]([CH3:23])([CH3:22])[CH3:21]>CCCCC>[CH2:14]([Ta:8]([CH2:19][C:20]([CH3:23])([CH3:22])[CH3:21])([CH2:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[CH:9][C:10]([CH3:13])([CH3:12])[CH3:11])[C:15]([CH3:18])([CH3:17])[CH3:16] | 1 |
[CH3:1][O:2][C:3]1[CH:16]=[CH:15][CH:14]=[CH:13][C:4]=1[O:5][C:6]1[CH:7]=[C:8]([NH2:12])[CH:9]=[CH:10][CH:11]=1.[N:17]1[CH:22]=[C:21]([CH:23]=O)[CH:20]=[N:19][CH:18]=1.C(O)(=O)C.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>ClC(Cl)C>[CH3:1][O:2][C:3]1[CH:16]=[CH:15][CH:14]=[CH:13][C:4]=1[O:5][C:6]1[CH:7]=[C:8]([NH:12][CH2:23][C:21]2[CH:22]=[N:17][CH:18]=[N:19][CH:20]=2)[CH:9]=[CH:10][CH:11]=1 | 2 |
FC(C=1C=C(CNC(OC(C)(C)C)=O)C=C(C1)NC(=O)C1CC2=CC(=CC=C2CC1)OC1=CC(=NC=C1)C=1NC(=CN1)C(F)(F)F)(F)F>Cl.O1CCOCC1>C1C(CCC2=CC=CC=C12)C(=O)N | 3 |
[N:1]1[C:10]2[C:5](=[CH:6][C:7]([C:11]3([C:14]4[N:18]5[N:19]=[C:20]([C:23]6[CH:32]=[CH:31][C:26]([C:27]([O:29]C)=[O:28])=[CH:25][CH:24]=6)[CH:21]=[N:22][C:17]5=[N:16][N:15]=4)[CH2:13][CH2:12]3)=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1.[OH-].[Li+].Cl>C1COCC1.CO.O.O>[N:1]1[C:10]2[C:5](=[CH:6][C:7]([C:11]3([C:14]4[N:18]5[N:19]=[C:20]([C:23]6[CH:24]=[CH:25][C:26]([C:27]([OH:29])=[O:28])=[CH:31][CH:32]=6)[CH:21]=[N:22][C:17]5=[N:16][N:15]=4)[CH2:12][CH2:13]3)=[CH:8][CH:9]=2)[CH:4]=[CH:3][CH:2]=1 | 1 |
C(C)(C)(C)C1=NC=C(C(=N1)CCCCCC)C(=O)N([C@@H]1CN(C[C@@H](C1)C(=O)N1CCOCC1)C(=O)OC(C)(C)C)CC(C)C>Cl>Cl.Cl.C(C)(C)(C)C1=NC=C(C(=N1)CCCCCC)C(=O)N([C@@H]1CNC[C@@H](C1)C(=O)N1CCOCC1)CC(C)C | 3 |
[F:1][C:2]([F:22])([F:21])[CH2:3][N:4]=[C:5]([NH2:20])[NH:6][C:7]1[N:12]=[C:11]([S:13][CH2:14][CH2:15][CH2:16][C:17](O)=[O:18])[CH:10]=[CH:9][CH:8]=1.C([N:25](CC)CC)C.C(OC(Cl)=O)C(C)C.N>CN(C=O)C.CCO>[F:1][C:2]([F:22])([F:21])[CH2:3][N:4]=[C:5]([NH2:20])[NH:6][C:7]1[N:12]=[C:11]([S:13][CH2:14][CH2:15][CH2:16][C:17]([NH2:25])=[O:18])[CH:10]=[CH:9][CH:8]=1 | 1 |
C([O:4][C@H:5]1[C@H:10]([O:11]C(=O)C)[C@@H:9]([O:15]C(=O)C)[C@H:8]([C:19]2[CH:24]=[C:23]([CH2:25][C:26]3[CH:31]=[CH:30][C:29]([O:32][CH2:33][CH3:34])=[CH:28][CH:27]=3)[C:22]([Cl:35])=[CH:21][C:20]=2[CH2:36][O:37][CH2:38][C:39]#[CH:40])[O:7][C@@H:6]1[CH2:41][O:42]C(=O)C)(=O)C.O[Li].O>C1COCC1.CO.O>[Cl:35][C:22]1[C:23]([CH2:25][C:26]2[CH:27]=[CH:28][C:29]([O:32][CH2:33][CH3:34])=[CH:30][CH:31]=2)=[CH:24][C:19]([C@H:8]2[C@H:9]([OH:15])[C@@H:10]([OH:11])[C@H:5]([OH:4])[C@@H:6]([CH2:41][OH:42])[O:7]2)=[C:20]([CH2:36][O:37][CH2:38][C:39]#[CH:40])[CH:21]=1 | 1 |
O1CN(CC1)C(=O)C1=CC=C(C=C1)N.CC1=C(C=CC=C1)C(C(=O)O)NC(=O)NC1=CC=C(C=C1)Cl>N(C)(C)C=O.CCN=C=NCCCN(C)C>O1CN(CC1)C(=O)C1=CC=C(C=C1)NC(C(NC(=O)NC1=CC=C(C=C1)Cl)C1=C(C=CC=C1)C)=O | 3 |
NC1=CC(=CC=C1)C.BrC=1C=C(C=CC1)C1(C2=CC=CC=C2C=2C=CC=CC12)C1=CC=CC=C1>>CC=1C=C(C=CC1)NC1=CC(=CC=C1)C1(C2=CC=CC=C2C=2C=CC=CC12)C1=CC=CC=C1 | 5 |
[N:1]([CH:4]1[CH:8]([C:9](=[O:12])[NH:10][CH3:11])[O:7][CH:6]([N:13]2[CH:21]=[N:20][C:19]3[C:14]2=[N:15][CH:16]=[N:17][C:18]=3[Cl:22])[CH:5]1[O:23]C(=O)C)=[N+:2]=[N-:3].C(N(CC)CC)C>CO>[CH3:11][NH:10][C:9]([C@@H:8]1[C@@H:4]([N:1]=[N+:2]=[N-:3])[C@@H:5]([OH:23])[C@H:6]([N:13]2[CH:21]=[N:20][C:19]3[C:14]2=[N:15][CH:16]=[N:17][C:18]=3[Cl:22])[O:7]1)=[O:12] | 2 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([C:14]#[N:15])[CH:9]=2)=[CH:4][CH:3]=1.S(=O)(=O)(O)O.[I:21]N1C(=O)CCC1=O>ClCCl.C(O)(=O)C>[OH:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([C:14]#[N:15])[CH:9]=2)=[CH:6][C:7]=1[I:21] | 1 |
NCCCN1C(=NC=2C(=NC=3C=CC=CC3C21)N)CCOC.COC(CC1=CC=C(C=C1)C=O)=O>>NC1=NC=2C=CC=CC2C2=C1N=C(N2CCCNCC2=CC=C(C=C2)CC(=O)OC)CCOC | 5 |
[CH:1]1([CH2:8][C:9]([C:11]2[C:19]3[C:14](=[CH:15][CH:16]=[CH:17][C:18]=3C)[N:13]([CH2:21][CH2:22][OH:23])[CH:12]=2)=O)[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[NH2:24][OH:25].[ClH:26].N1C=CC=CC=1>CO>[Cl:26][C:18]1[CH:17]=[CH:16][CH:15]=[C:14]2[C:19]=1[C:11]([C:9](=[N:24][OH:25])[CH2:8][CH:1]1[CH2:7][CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1)=[CH:12][N:13]2[CH2:21][CH2:22][OH:23] | 2 |
ClC=1C=CC(=C(C1)C1=C2C(=NC(=C1)C)C(=CS2)C(=O)OC)OCCN2C(=NC1=C(C2=O)CC(CC12CC2)N2CCC(CC2)OC(C2=CC=CC=1C3=CC=CC=C3CC21)(C2=CC=CC=1C3=CC=CC=C3CC21)C2=CC=CC=1C3=CC=CC=C3CC21)C>O.C1CCCO1.OC(=O)CC(O)(CC(O)=O)C(O)=O.O[Li].O>ClC=1C=CC(=C(C1)C1=C2C(=NC(=C1)C)C(=CS2)C(=O)O)OCCN2C(=NC=1C3(CC(CC1C2=O)N2CCC(CC2)OC(F)(F)F)CC3)C | 3 |
[Br:1][C:2]1[CH:16]=[CH:15][C:5]([O:6][CH2:7][CH2:8][CH2:9][C:10]([O:12]CC)=[O:11])=[CH:4][C:3]=1[F:17].[Li+].[OH-].O1CCCC1.Cl>O>[Br:1][C:2]1[CH:16]=[CH:15][C:5]([O:6][CH2:7][CH2:8][CH2:9][C:10]([OH:12])=[O:11])=[CH:4][C:3]=1[F:17] | 1 |
N1N=NC2=C1C=CC=C2.N=1C=2N(C(NC1)=O)N=CC2.N[C@@H]1C[C@@H]([C@H](C1)O)CO>CC#N.C1CCCO1.CCN(CC)CC.P(=O)(Cl)(Cl)Cl>OC[C@@H]1[C@H](C[C@@H](C1)NC1=NC=NC=2N1N=CC2)O | 3 |
[Li]C(C)(C)C.[CH3:6][Si:7]([CH3:20])([CH3:19])[CH2:8][CH2:9][O:10][CH2:11][O:12][C:13]1[CH:14]=[N:15][CH:16]=[CH:17][CH:18]=1.Cl[Si:22]([CH3:25])([CH3:24])[CH3:23].O>CCOCC>[CH3:23][Si:22]([CH3:25])([CH3:24])[C:18]1[CH:17]=[CH:16][N:15]=[CH:14][C:13]=1[O:12][CH2:11][O:10][CH2:9][CH2:8][Si:7]([CH3:20])([CH3:19])[CH3:6] | 1 |
C(C)N1CCC(CC1)CN1C(C2(C3=CC=CC=C13)C1=C(OC2)C=C2OCCC2=C1)=O>CO[H].Cl>Cl.C(C)N1CCC(CC1)CN1C(C2(C3=CC=CC=C13)C1=C(OC2)C=C2OCCC2=C1)=O | 3 |
ClC(C(=O)Cl)(Cl)Cl.N1C=CC=2C(CCCC12)=O>ClCCl.[Al](Cl)(Cl)Cl.C(O)([O-])=O.[Na+]>ClC(C(=O)C=1NC=2CCCC(C2C1)=O)(Cl)Cl | 3 |
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]([OH:13])[C:9]([F:12])([F:11])[F:10])=[N:6][CH:7]=1.CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C1=CC=CC=2)=O>C(Cl)Cl>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8](=[O:13])[C:9]([F:10])([F:11])[F:12])=[N:6][CH:7]=1 | 1 |
ClCC(=O)N(C)C.FC(COC1=C(C=C(C=C1)S(=O)(=O)C)C=1C=2N(C=CC1)N=C(N2)NC2=CC1=C(CCNCC1)C=C2)F>>FC(COC1=C(C=C(C=C1)S(=O)(=O)C)C=1C=2N(C=CC1)N=C(N2)NC2=CC1=C(CCN(CC1)CC(=O)N(C)C)C=C2)F | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:14]=[CH:15][C:16]=1OC)[CH:6]=[C:7]1[NH:11][C:10](=[O:12])[NH:9][C:8]1=[O:13].[C:19]([O:23][CH2:24][CH:25]([CH2:30][CH3:31])[CH2:26][CH2:27][CH2:28][CH3:29])(=[O:22])[CH:20]=[CH2:21].[OH-].[K+].CN(C)[CH:36]=[O:37]>O>[CH3:36][O:37][C:4]1[C:3]([O:2][CH3:1])=[CH:16][CH:15]=[CH:14][C:5]=1[CH:6]=[C:7]1[C:8](=[O:13])[N:9]([CH2:21][CH2:20][C:19]([O:23][CH2:24][CH:25]([CH2:30][CH3:31])[CH2:26][CH2:27][CH2:28][CH3:29])=[O:22])[C:10](=[O:12])[NH:11]1 | 1 |
[C:1]([O:5][C:6]([N:8]1[CH:12]=[CH:11][CH:10]=[C:9]1[C:13]1[CH:14]=[CH:15][C:16]2[NH:22][C:21](=[O:23])[CH2:20][O:19][C:18]([CH3:30])([C:24]3[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=3)[C:17]=2[CH:31]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].ClS([N:36]=[C:37]=O)(=O)=O>>[C:1]([O:5][C:6]([N:8]1[C:9]([C:13]2[CH:14]=[CH:15][C:16]3[NH:22][C:21](=[O:23])[CH2:20][O:19][C:18]([CH3:30])([C:24]4[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=4)[C:17]=3[CH:31]=2)=[CH:10][CH:11]=[C:12]1[C:37]#[N:36])=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
C(C)OC(C(=CN[C@@H](C(C)C)CO)C(=O)C1=NC=C(C=C1Cl)Cl)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)OC(=O)C1=CN(C2=CC(=CN=C2C1=O)Cl)C(C(C)C)CO | 3 |
C(C)OC(=O)C=1N=CNC1.BrCC1=CC2=C(CCN(CC2)C(=O)OC(C)(C)C)C=C1>N(C)(C)C=O.[H-].[Na+]>C(C)OC(=O)C1=CN=CN1CC1=CC2=C(CCN(CC2)C(=O)OC(C)(C)C)C=C1 | 3 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[N:12][NH:11][C:10](=O)[CH:9]=2)=[CH:4][CH:3]=1.O=P(Cl)(Cl)[Cl:17]>>[Cl:17][C:10]1[N:11]=[N:12][CH:13]=[C:8]([C:5]2[CH:6]=[CH:7][C:2]([F:1])=[CH:3][CH:4]=2)[CH:9]=1 | 1 |
[CH3:1][N:2]1[CH2:7][CH2:6][N:5]([C:8]2[CH:9]=[CH:10][C:11]3[N:15]=[C:14]([C:16]4[C:24]5[C:19](=[C:20]([NH2:25])[CH:21]=[CH:22][CH:23]=5)[NH:18][N:17]=4)[NH:13][C:12]=3[CH:26]=2)[CH2:4][CH2:3]1.[CH3:27][S:28](Cl)(=[O:30])=[O:29].C(N(C(C)C)CC)(C)C>C(Cl)Cl>[CH3:1][N:2]1[CH2:7][CH2:6][N:5]([C:8]2[CH:9]=[CH:10][C:11]3[N:15]=[C:14]([C:16]4[C:24]5[C:19](=[C:20]([NH:25][S:28]([CH3:27])(=[O:30])=[O:29])[CH:21]=[CH:22][CH:23]=5)[NH:18][N:17]=4)[NH:13][C:12]=3[CH:26]=2)[CH2:4][CH2:3]1 | 1 |
[Br:1]Br.[CH3:3][O:4][N:5]=[C:6]([C:12]1([O:17][CH2:16][CH2:15][O:14]1)[CH3:13])[C:7]([O:9][CH2:10][CH3:11])=[O:8].S([O-])([O-])(=O)=S.[Na+].[Na+]>C(Cl)(Cl)Cl>[CH3:3][O:4][N:5]=[C:6]([C:12]1([O:14][CH2:15][CH2:16][O:17]1)[CH2:13][Br:1])[C:7]([O:9][CH2:10][CH3:11])=[O:8] | 1 |
FC1=C(C=CC=C1)[C@@H](C)NS(=O)C(C)(C)C>>FC1=C(C=CC=C1)[C@@H](C)N | 5 |
[F:1][C:2]([F:27])([F:26])[C:3]([N:5]1[CH2:11][CH2:10][C:9]2[CH:12]=[C:13]([O:23]C)[C:14]([CH2:16][C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)=[CH:15][C:8]=2[CH:7]([CH3:25])[CH2:6]1)=[O:4].B(Br)(Br)Br>ClCCl>[F:27][C:2]([F:1])([F:26])[C:3]([N:5]1[CH2:11][CH2:10][C:9]2[CH:12]=[C:13]([OH:23])[C:14]([CH2:16][C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)=[CH:15][C:8]=2[CH:7]([CH3:25])[CH2:6]1)=[O:4] | 2 |
C(#N)C1=C(C(=C(C(=O)N[C@H]2[C@@H](CCCC2)O)C=C1CC1=CC=C(C=C1)N1N=CC=C1)C=C)C>O.O.[O-][Os](=O)(=O)[O-].[K+].[K+].CC(=O)C.I(=O)(=O)(=O)[O-].[Na+].[O-]S(=O)(=S)[O-].[Na+].[Na+]>OC1N(C(C2=CC(=C(C(=C12)C)C#N)CC1=CC=C(C=C1)N1N=CC=C1)=O)[C@H]1[C@@H](CCCC1)O | 3 |
[C:1]([CH:3]=[C:4]1[CH2:9][CH2:8][N:7](C(OC(C)(C)C)=O)[CH2:6][CH2:5]1)#[N:2].[C:17]([OH:23])([C:19]([F:22])([F:21])[F:20])=[O:18]>C(Cl)Cl>[F:20][C:19]([F:22])([F:21])[C:17]([O-:23])=[O:18].[C:1]([CH:3]=[C:4]1[CH2:9][CH2:8][NH2+:7][CH2:6][CH2:5]1)#[N:2] | 1 |
Cl.NC1=CC(=NS1)C.BrC=1C=C(C=CC1C#N)N[C@@H](C(=O)N)CC1CCCCC1>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.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>C(#N)C1=C(C=C(C=C1)N[C@@H](C(=O)N)CC1CCCCC1)NC1=CC(=NS1)C | 3 |
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