smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
COC1=C(CC2=CC=C(C=C2)CC=O)C(=CC(=C1)C=1C2=C(C(N(C1)C)=O)N(N=C2)CC2=CC=C(C=C2)OC)OC>O.O1CCOCC1.Cl(=O)[O-].[Na+].CC(C)=CC.P(=O)(O)(O)[O-].[Na+]>COC1=C(CC2=CC=C(C=C2)CC(=O)O)C(=CC(=C1)C=1C2=C(C(N(C1)C)=O)N(N=C2)CC2=CC=C(C=C2)OC)OC | 3 |
[OH:1][CH2:2][C:3]1[N:4]=[CH:5][NH:6][C:7]=1C.COC(=O)C1C=CC(CBr)=CC=1.[CH2:21]([O:23][C:24]([C:26]1[O:27][C:28]([CH2:31]Cl)=[CH:29][CH:30]=1)=[O:25])[CH3:22]>>[CH2:21]([O:23][C:24]([C:26]1[O:27][C:28]([CH2:31][N:4]2[C:3]([CH2:2][OH:1])=[CH:7][N:6]=[CH:5]2)=[CH:29][CH:30]=1)=[O:25])[CH3:22] | 1 |
COC([C@H](CC1=NC=CC=C1)NC([C@H](C)NC(=O)OCC1=CC=CC=C1)=O)=O>ClCCCl.[OH-].C[Sn+](C)C>C(C1=CC=CC=C1)OC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC1=NC=CC=C1)C | 3 |
IC1=CC=C(CBr)C=C1>ClCCl.C(C)(C)N(C(C)C)CC.N1CCCCC1>N1(CCCCC1)CC1=CC=C(C=C1)I | 3 |
O[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)N(C)OC>>C(=O)[C@H]1N(C[C@@H](C1)O)C(=O)OC(C)(C)C | 5 |
COC(CBr)OC.COC(C=C(C)C=1C=NC(=CC1)N)=O>O.Cl>COC(C=C(C)C=1C=CC=2N(C1)C=CN2)=O | 3 |
COC1C=[C:5]([CH:41]=CC=1)[C:6]([NH:8][CH2:9][C:10]1[S:14][C:13]([S:15](N2CCC(NC3C=CC=C(S(C(F)(F)F)(=O)=O)C=3)CC2)(=[O:17])=[O:16])=[C:12](C(O)=O)[CH:11]=1)=O.[Li][C:45]([CH3:48])(C)[CH3:46].CCCCC.C1C(=O)N([Cl:61])C(=O)C1>CCOCC.C1COCC1>[CH2:46]([N:8]([CH2:9][C:10]1[S:14][C:13]([S:15]([Cl:61])(=[O:16])=[O:17])=[CH:12][CH:11]=1)[CH2:6][CH:5]=[CH2:41])[CH:45]=[CH2:48] | 2 |
NCC=1C=C2CN(C(C2=CC1)=O)C1C(NC(CC1)=O)=O.FC(C(=O)O)(C1(CCCCC1)O)F>>O=C1NC(CCC1N1C(C2=CC=C(C=C2C1)CNC(C(C1(CCCCC1)O)(F)F)=O)=O)=O | 5 |
O=C(C(CCCCCN1C(C=2C(C1=O)=CC=CC2)=O)C(=O)OCC)C>O.ClCCl.Cl.[OH-].[Na+].C(C)(=O)O>O=C(CCCCCCN1C(C=2C(C1=O)=CC=CC2)=O)C | 3 |
[C:1]([O:4][C@@H:5]1[C@@H:18]([O:19][C:20](=[O:22])[CH3:21])[C@H:17]([O:23][C:24](=[O:26])[CH3:25])[CH2:16][S:15][C@H:6]1[O:7][C:8]1[CH:9]=[N:10][CH:11]=[C:12](Br)[CH:13]=1)(=[O:3])[CH3:2].[F:27][C:28]1[CH:33]=[CH:32][C:31](B(O)O)=[CH:30][C:29]=1[CH3:37]>>[C:1]([O:4][C@@H:5]1[C@@H:18]([O:19][C:20](=[O:22])[CH3:21])[C@H:17]([O:23][C:24](=[O:26])[CH3:25])[CH2:16][S:15][C@H:6]1[O:7][C:8]1[CH:9]=[N:10][CH:11]=[C:12]([C:31]2[CH:32]=[CH:33][C:28]([F:27])=[C:29]([CH3:37])[CH:30]=2)[CH:13]=1)(=[O:3])[CH3:2] | 1 |
NC=1C=C(C(=O)NC2=CC=CC=C2)C=CC1.C1(=CC=CC=C1)N(C(=O)Cl)C1=CC=CC=C1>CCN(CC)CC.CCO[H]>C1(=CC=CC=C1)N(C(NC1=C(C(=O)NC2=CC=CC=C2)C=CC=C1)=O)C1=CC=CC=C1 | 3 |
[C:1]([NH2:9])(=[NH:8])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7].Cl[CH:11]([C:17](=[O:19])[CH3:18])[CH:12](OC)OC.C([O-])(=O)C.[Na+]>O1CCOCC1>[C:17]([C:11]1[N:8]=[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH3:7])[NH:9][CH:12]=1)(=[O:19])[CH3:18] | 1 |
Cl.Cl.Cl.[O:4]1[C:8]2[CH:9]=[CH:10][CH:11]=[C:12]([N:13]3[CH2:18][CH2:17][N:16]([CH2:19][CH2:20][C@H:21]4[CH2:26][CH2:25][C@H:24]([NH2:27])[CH2:23][CH2:22]4)[CH2:15][CH2:14]3)[C:7]=2[O:6][CH2:5]1.[C:28](O)(=[O:32])[CH2:29][CH2:30][CH3:31]>>[O:4]1[C:8]2[CH:9]=[CH:10][CH:11]=[C:12]([N:13]3[CH2:18][CH2:17][N:16]([CH2:19][CH2:20][C@H:21]4[CH2:26][CH2:25][C@H:24]([NH:27][C:28](=[O:32])[CH2:29][CH2:30][CH3:31])[CH2:23][CH2:22]4)[CH2:15][CH2:14]3)[C:7]=2[O:6][CH2:5]1 | 1 |
ClC1=CC(=CN1C1=C(C=NN1C)Cl)C(=O)N[C@H](CN1C(C2=CC=CC=C2C1=O)=O)CC1=CC(=CC=C1)F>>NC[C@H](CC1=CC(=CC=C1)F)NC(=O)C1=CN(C(=C1)Cl)C1=C(C=NN1C)Cl | 5 |
NC1COCC1.BrC1=NC=C2N1C=C(N(C2=O)CC2=CC=C(C=C2)OC)C>C(C)(C)N(C(C)C)CC.CN1C(CCC1)=O>COC1=CC=C(CN2C(C=3N(C=C2C)C(=NC3)NC3COCC3)=O)C=C1 | 3 |
NCCCN1CCN(CC1)C.ClC=1C=C(C=CC1SC=1N(C(=C(N1)C)C)CC)NC1=C(C=NC2=CC(=C(C=C12)OC)F)C#N>>ClC=1C=C(C=CC1SC=1N(C(=C(N1)C)C)CC)NC1=C(C=NC2=CC(=C(C=C12)OC)NCCCN1CCN(CC1)C)C#N | 5 |
O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[C@@H]1(O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](OC3C=CC(N)=CC=3)[C@@H]2O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.[C@@H:43]1([O:54][C@H:55]2[C@@H:70]([OH:71])[C@@H:69]([CH2:72][OH:73])[O:68][C@H:57]([O:58][C:59]3[CH:64]=[CH:63][C:62]([N+:65]([O-:67])=[O:66])=[CH:61][CH:60]=3)[C@@H:56]2[OH:74])[O:51][C@H:50]([CH2:52][OH:53])[C@H:48]([OH:49])[C@H:46]([OH:47])[C@H:44]1[OH:45]>CO.[Pd]>[C@H:43]1([O:54][C@H:55]2[C@@H:70]([OH:71])[C@@H:69]([CH2:72][OH:73])[O:68][C@H:57]([O:58][C:59]3[CH:64]=[CH:63][C:62]([N+:65]([O-:67])=[O:66])=[CH:61][CH:60]=3)[C@@H:56]2[OH:74])[O:51][C@H:50]([CH2:52][OH:53])[C@H:48]([OH:49])[C@H:46]([OH:47])[C@H:44]1[OH:45] | 1 |
C1COCCN1.ClC1=NC(=C(C(=N1)C(=O)OC)F)Cl>O.C(C)(=O)OCC>ClC1=NC(=C(C(=N1)C(=O)OC)F)N1CCOCC1 | 3 |
Cl[CH2:2][CH2:3][CH2:4][O:5][C:6]1[CH:11]=[CH:10][C:9]([N:12]2[CH2:17][CH2:16][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:14][C:13]2=[O:25])=[CH:8][CH:7]=1.C(=O)([O-])[O-].[K+].[K+].[I-].[K+].[NH:34]1[CH2:40][CH2:39][CH2:38][CH2:37][CH2:36][CH2:35]1>CC(=O)CC>[N:34]1([CH2:2][CH2:3][CH2:4][O:5][C:6]2[CH:11]=[CH:10][C:9]([N:12]3[CH2:17][CH2:16][N:15]([C:18]([O:20][C:21]([CH3:24])([CH3:23])[CH3:22])=[O:19])[CH2:14][C:13]3=[O:25])=[CH:8][CH:7]=2)[CH2:40][CH2:39][CH2:38][CH2:37][CH2:36][CH2:35]1 | 2 |
COC(CCSC1N(C(C2=C1C(=C1C=CC=NC1=C2O)OC)=O)CC2=CC=C(C=C2)F)=O>>FC1=CC=C(CN2C(C=3C(=C4C=CC=NC4=C(C3C2=O)O)OC)SCCC(=O)O)C=C1 | 5 |
C(C)(C)(C)C1=CC=C(C=C1)CCC(=O)O.NCC1=CC(=C(C=C1)NS(=O)(=O)C)C=C>ClCCl.CCN(CC)CC.[Cl-].COC1=NC(=NC(=N1)OC)[N+]1(CCOCC1)C>C(C)(C)(C)C1=CC=C(C=C1)CCC(=O)NCC1=CC(=C(C=C1)NS(=O)(=O)C)C=C | 3 |
C(C1=CC=CC=C1)N1C(C(OCC1CO)(C)CCO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)=O>C1CCCO1.CO[H].[F-].C(CCC)[N+](CCCC)(CCCC)CCCC.COCCN(CCOC)S(F)(F)F>C(C1=CC=CC=C1)N1C(C(OCC1CF)(C)CCO)=O | 3 |
[NH:1]1[CH2:4][CH2:3][CH2:2]1.C[O:6][C:7]([C:9]1[C:13]([NH:14][C:15]([C:17]2[C:22]([NH:23][C:24]3[CH:25]=[N:26][CH:27]=[N:28][CH:29]=3)=[CH:21][CH:20]=[C:19]([CH:30]3[CH2:32][CH2:31]3)[N:18]=2)=[O:16])=[CH:12][N:11]([CH3:33])[N:10]=1)=O>>[N:1]1([C:7]([C:9]2[C:13]([NH:14][C:15]([C:17]3[C:22]([NH:23][C:24]4[CH:25]=[N:26][CH:27]=[N:28][CH:29]=4)=[CH:21][CH:20]=[C:19]([CH:30]4[CH2:32][CH2:31]4)[N:18]=3)=[O:16])=[CH:12][N:11]([CH3:33])[N:10]=2)=[O:6])[CH2:4][CH2:3][CH2:2]1 | 1 |
[N+](=O)([O-])C1=C(N)C(=CC=C1)C1=CC=NC=C1>>N1=CC=C(C=C1)C1=C(C(=CC=C1)N)N | 5 |
C([N:8]1[CH2:13][CH2:12][N:11](CC2C=CC=CC=2)[CH2:10][C@@H:9]1[CH2:21][CH2:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=1[O:29][CH3:30])C1C=CC=CC=1.C([O-])=O.[NH4+]>[Pd].C(O)C>[CH3:30][O:29][C:24]1[CH:25]=[CH:26][CH:27]=[CH:28][C:23]=1[CH2:22][CH2:21][C@H:9]1[CH2:10][NH:11][CH2:12][CH2:13][NH:8]1 | 1 |
ClC(=O)OCC1=CC=CC=C1.C(C1=CC=CC=C1)OC(NCC1OC2=C(C1)C=CC=C2C2CCCC2)=O.CC1=C(C=CC=C1)C1=CC=CC2=C1CC(O2)CN>>C(C1=CC=CC=C1)OC(NCC1OC2=C(C1)C(=CC=C2)C2=C(C=CC=C2)C)=O | 5 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([F:8])=[C:4]([O:9]C)[C:3]=1[OH:11].B(Br)(Br)Br>>[F:1][C:2]1[CH:7]=[CH:6][C:5]([F:8])=[C:4]([OH:9])[C:3]=1[OH:11] | 1 |
CC1(N(CCC1)CCN)C.BrC1=CC=2N(C=C1)C(=CN2)C(=O)NC=2C=C(C(=O)O)C=CC2F>N(C)(C)C=O.CCN(CC)CC.C(C)(=O)OCC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>BrC1=CC=2N(C=C1)C(=CN2)C(=O)NC2=C(C=CC(=C2)C(NCCN2C(CCC2)(C)C)=O)F | 3 |
BrC=1SC2=C(N1)C=C(C(=C2C2=CC=C(C=C2)Cl)[C@@H](C(=O)OC)OC(C)(C)C)C.C(C)(C)N1CCN(CC1)C=1SC=C(N1)[Sn](CCCC)(CCCC)CCCC>[Cu]I.O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[F-].[Na+]>C(C)(C)(C)O[C@H](C(=O)OC)C1=C(C2=C(N=C(S2)C=2N=C(SC2)N2CCN(CC2)C(C)C)C=C1C)C1=CC=C(C=C1)Cl | 3 |
CS(=O)(=O)Cl.NCCOC1=CC=C(C=C1)C=1N(C2=CC(=CC=C2C1C#N)OC)CC>c1ccncc1>C(#N)C1=C(N(C2=CC(=CC=C12)OC)CC)C1=CC=C(OCCNS(=O)(=O)C)C=C1 | 3 |
[CH3:1][N:2]([CH3:27])[C:3]([C:5]1[N:6]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[C:7]2[C:12]([C:13](=[O:19])[C:14]=1[CH2:15][N:16]=[N+]=[N-])=[CH:11][CH:10]=[C:9]([Cl:20])[CH:8]=2)=[O:4]>[Pt](=O)=O.C(Cl)Cl.C(OCC)(=O)C>[ClH:20].[CH3:1][N:2]([CH3:27])[C:3]([C:5]1[N:6]([C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[C:7]2[C:12]([C:13](=[O:19])[C:14]=1[CH2:15][NH2:16])=[CH:11][CH:10]=[C:9]([Cl:20])[CH:8]=2)=[O:4] | 2 |
CN1N=C(C=C1[N+](=O)[O-])C#N>>ON=C(N)C1=NN(C(=C1)[N+](=O)[O-])C | 5 |
FC1=C(C=CC(=C1B1OC(C(O1)(C)C)(C)C)C=O)SCC(=O)O[C@H]1[C@]2([C@H]3[C@]([C@H]([C@@H]([C@@](C1)(C=C)C)O)C)(CCC3=O)CC[C@H]2C)C>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>FC1=C(C=CC2=C1B(OC2)O)SCC(=O)O[C@H]2[C@]1([C@H]3[C@]([C@H]([C@@H]([C@@](C2)(C=C)C)O)C)(CCC3=O)CC[C@H]1C)C | 3 |
[F:1][C:2]1[C:3]([C:12](I)=[CH:13][C:14](=O)[C:15]2[NH:16][CH:17]=[C:18]([CH3:21])[C:19]=2[CH3:20])=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][C:6](=[O:11])[CH2:5]2.[H-].[Na+].[C:26]([O:30][C:31](=[O:36])[NH:32][CH2:33][CH2:34][SH:35])([CH3:29])([CH3:28])[CH3:27]>>[C:26]([O:30][C:31](=[O:36])[NH:32][CH2:33][CH2:34][S:35][C:12]1[CH:13]=[C:14]([C:15]2[NH:16][CH:17]=[C:18]([CH3:21])[C:19]=2[CH3:20])[C:5]2[C:6](=[O:11])[NH:7][C:8]3[C:4]=2[C:3]=1[C:2]([F:1])=[CH:10][CH:9]=3)([CH3:29])([CH3:27])[CH3:28] | 1 |
[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([CH2:7][NH:8][C:9](=[O:17])[C:10]2[CH:15]=[CH:14][CH:13]=[C:12](Br)[CH:11]=2)[CH:2]=1.[C:18]1(B(O)O)[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1>>[N:1]1[CH:6]=[CH:5][CH:4]=[C:3]([CH2:7][NH:8][C:9](=[O:17])[C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)[CH:11]=2)[CH:2]=1 | 1 |
C[O:2][C:3](=[O:23])[C:4]1[CH:9]=[CH:8][C:7]([CH:10]([S:15][C:16]2[CH:21]=[CH:20][C:19]([Br:22])=[CH:18][CH:17]=2)[CH2:11][CH:12]([CH3:14])[CH3:13])=[CH:6][CH:5]=1.[OH-].[Na+]>C(O)C>[Br:22][C:19]1[CH:18]=[CH:17][C:16]([S:15][CH:10]([C:7]2[CH:6]=[CH:5][C:4]([C:3]([OH:23])=[O:2])=[CH:9][CH:8]=2)[CH2:11][CH:12]([CH3:14])[CH3:13])=[CH:21][CH:20]=1 | 1 |
ClC=1C(=NC(=CC1)NC(=O)C1(CC1)C1=CC2=C(OC(O2)(F)F)C=C1)C=1C=NC(=CC1)OC>Cl.O1CCOCC1>ClC=1C=CC(=NC1C1=CNC(C=C1)=O)NC(=O)C1(CC1)C1=CC2=C(OC(O2)(F)F)C=C1 | 3 |
[CH2:1]([O:3][C:4]([CH:6]1[CH2:11][CH2:10][CH2:9][N:8]([C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13])[CH2:7]1)=[O:5])[CH3:2].[Li+].CC([N-]C(C)C)C.C(C1C=CC=CC=1)C.[N+:35]([CH:38]=[CH:39][C:40]1[CH:41]=[N:42][CH:43]=[CH:44][CH:45]=1)([O-:37])=[O:36]>C1COCC1.CCCCCCC.CN(C=O)C>[CH2:1]([O:3][C:4]([C:6]1([CH:39]([C:40]2[CH:41]=[N:42][CH:43]=[CH:44][CH:45]=2)[CH2:38][N+:35]([O-:37])=[O:36])[CH2:11][CH2:10][CH2:9][N:8]([C:12]([O:14][C:15]([CH3:17])([CH3:16])[CH3:18])=[O:13])[CH2:7]1)=[O:5])[CH3:2] | 1 |
C([NH:4][C:5]([CH2:10][CH2:11][CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([O:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[CH:14]=1)([CH2:8][OH:9])[CH2:6][OH:7])(=O)C.[OH-].[Na+].Cl>CO>[NH2:4][C:5]([CH2:10][CH2:11][CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([O:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])[CH:14]=1)([CH2:6][OH:7])[CH2:8][OH:9] | 1 |
C[O:2][CH:3](OC)[C:4]1[CH:5]=[N:6][CH:7]=[C:8]([C:10]([CH3:12])=[CH2:11])[CH:9]=1.C(O)(C(F)(F)F)=O>>[CH2:11]=[C:10]([C:8]1[CH:7]=[N:6][CH:5]=[C:4]([CH:9]=1)[CH:3]=[O:2])[CH3:12] | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.COC1=CC=C(C=N1)C1=NNC(=C1)N>ClCCl.[OH-].[K+].CCCCC>C(C)(C)(C)OC(=O)N1N=C(C=C1N)C=1C=NC(=CC1)OC | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]2[CH2:13][NH:12][CH2:11][CH2:10][NH:9]2)=[CH:4][CH:3]=1.[CH2:14](N(CC)CC)C.CI.[Cl-].[NH4+]>CC(C)=O>[Br:1][C:2]1[CH:3]=[CH:4][C:5]([CH:8]2[NH:9][CH2:10][CH2:11][N:12]([CH3:14])[CH2:13]2)=[CH:6][CH:7]=1 | 1 |
C(C1=CC=CC=C1)OC=1C=CC(=NC1)Cl.C1C(COC(O1)C2=CC=CC=C2)O>[H-].[Na+].CN1C(CCC1)=O>C(C1=CC=CC=C1)OC=1C=CC(=NC1)OC1COC(OC1)C1=CC=CC=C1 | 3 |
[CH3:1][NH:2][C@H:3]([CH3:12])[C@@H:4]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)[OH:5].BrC1SC(C([C@H:22]2[CH2:27][CH2:26][C@H:25]([C:28]([OH:30])=[O:29])[CH2:24][CH2:23]2)(O)C)=NC=1>>[OH:5][C@@H:4]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)[C@@H:3]([NH2+:2][CH3:1])[CH3:12].[CH:25]1([C:28]([O-:30])=[O:29])[CH2:26][CH2:27][CH2:22][CH2:23][CH2:24]1 | 1 |
N1N=NC(=C1)C(=O)O.C(CCC)(=O)OCOC([C@](C[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)N)(C)CO)=O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(CCC)(=O)OCOC([C@](C[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)NC(=O)C=1NN=NC1)(C)CO)=O | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.NCC1=CC=C(CN)C=C1>ClCCl>C(C)(C)(C)OC(=O)NCC1=CC=C(CN)C=C1 | 3 |
ClC1=C(C(=C2N1CCN(C2)C(=O)OC(C)(C)C)C(=O)N2C=NC=C2)C2=CC(=CC=C2)C#N>N(C)(C)C=O.N>C(N)(=O)C=1C(=C(N2C1CN(CC2)C(=O)OC(C)(C)C)Cl)C2=CC(=CC=C2)C#N | 3 |
N=1N(C=C2C=CC=CC12)C1=C(C(=O)NC(C(C(=O)OCC)O)CC2=CC=CC=C2)C=CC=N1>>N=1N(C=C2C=CC=CC12)C1=C(C(=O)NC(C(C(=O)O)O)CC2=CC=CC=C2)C=CC=N1 | 5 |
Br[C:2]1[CH:3]=[C:4]([N:8]2[C:16]3[CH2:15][CH2:14][N:13]([S:17]([CH3:19])=[O:18])[CH2:12][C:11]=3[C:10]([C:20]([O:22][CH2:23][CH3:24])=[O:21])=[N:9]2)[CH:5]=[CH:6][CH:7]=1.[C:25]([C@:27]1([OH:34])[CH2:31][CH2:30][N:29]([CH3:32])[C:28]1=[O:33])#[CH:26]>>[OH:34][C@@:27]1([C:25]#[C:26][C:2]2[CH:3]=[C:4]([N:8]3[C:16]4[CH2:15][CH2:14][N:13]([S:17]([CH3:19])=[O:18])[CH2:12][C:11]=4[C:10]([C:20]([O:22][CH2:23][CH3:24])=[O:21])=[N:9]3)[CH:5]=[CH:6][CH:7]=2)[CH2:31][CH2:30][N:29]([CH3:32])[C:28]1=[O:33] | 2 |
NC1=C(NC2=CC3=C(C(C4=C(CC3)C=CC(=C4)OC)=O)C=C2)C=CC(=C1)F>>NC1=C(NC2=CC3=C(C(C4=C(CC3)C=CC(=C4)O)=O)C=C2)C=CC(=C1)F | 5 |
[I-].[I:2][C:3]1[CH:11]=[C:10]([I:12])[CH:9]=[C:8]2[C:4]=1[C:5]([CH3:16])([CH3:15])[C:6]([CH3:14])=[N+:7]2[CH3:13].Cl.[C:18]1([NH:24][CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=NC2C=CC=CC=2)[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1>C(OC(=O)C)(=O)C>[I-:2].[NH:24]([CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=[CH:14][C:6]1[C:5]([CH3:16])([CH3:15])[C:4]2[C:8](=[CH:9][C:10]([I:12])=[CH:11][C:3]=2[I:2])[N+:7]=1[CH3:13])[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1 | 1 |
[Cl:1][C:2]1[N:7]=[C:6]([C:8]2[S:12][C:11]([CH:13]([CH3:15])[CH3:14])=[N:10][C:9]=2[C:16]2[CH:17]=[C:18]([CH:20]=[CH:21][CH:22]=2)[NH2:19])[CH:5]=[CH:4][N:3]=1.[F:23][C:24]1[CH:25]=[CH:26][C:27]([O:34][CH3:35])=[C:28]([S:30](Cl)(=[O:32])=[O:31])[CH:29]=1>>[Cl:1][C:2]1[N:7]=[C:6]([C:8]2[S:12][C:11]([CH:13]([CH3:15])[CH3:14])=[N:10][C:9]=2[C:16]2[CH:17]=[C:18]([NH:19][S:30]([C:28]3[CH:29]=[C:24]([F:23])[CH:25]=[CH:26][C:27]=3[O:34][CH3:35])(=[O:31])=[O:32])[CH:20]=[CH:21][CH:22]=2)[CH:5]=[CH:4][N:3]=1 | 1 |
[NH2:1][C:2]1[N:7]=[CH:6][C:5]([C:8]2[C:9]3[CH2:22][CH2:21][N:20]([C@:23]4([CH3:35])[CH2:27][CH2:26][N:25]([C:28](OC(C)(C)C)=[O:29])[CH2:24]4)[C:10]=3[N:11]=[C:12]([N:14]3[CH2:19][CH2:18][O:17][CH2:16][CH2:15]3)[N:13]=2)=[CH:4][N:3]=1.Cl.O1CCOCC1.C[CH2:44][N:45](C(C)C)C(C)C.CN=C=O.C([O-])(O)=O.[Na+]>CO.C1(C)C=CC=CC=1.CS(C)=O>[NH2:1][C:2]1[N:3]=[CH:4][C:5]([C:8]2[C:9]3[CH2:22][CH2:21][N:20]([C@:23]4([CH3:35])[CH2:27][CH2:26][N:25]([C:28]([NH:45][CH3:44])=[O:29])[CH2:24]4)[C:10]=3[N:11]=[C:12]([N:14]3[CH2:19][CH2:18][O:17][CH2:16][CH2:15]3)[N:13]=2)=[CH:6][N:7]=1 | 1 |
C(C1=CC=CC=C1)OC1=C(C(=CC=C1)OC)CC(=O)OC>C1CCCO1.[HH].[Pd]>OC1=CC=CC(=C1CC(=O)OC)OC | 3 |
[C:1]1([CH2:7][CH2:8][CH2:9][NH2:10])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C(N(CC)CC)C.[C:18](Cl)(=[O:25])[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1.O>C(Cl)Cl>[C:1]1([CH2:7][CH2:8][CH2:9][NH:10][C:18](=[O:25])[C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 2 |
C(=S)=S.Cl.S1CNCC1>c1ccncc1.C(C)(=O)[O-].[Zn+2].C(C)(=O)[O-]>S1CN(CC1)C(=S)[S-].S1CN(CC1)C(=S)[S-].[Zn+2] | 3 |
[C:1]([OH:10])(=[O:9])[CH2:2]/[CH:3]=[CH:4]\[CH2:5][CH2:6][CH2:7][CH3:8].[CH2:11]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20]1[CH:25]=[CH:24][C:23]([C:26]2[CH:31]=[CH:30][C:29](O)=[CH:28][N:27]=2)=[CH:22][CH:21]=1)[CH2:12][CH3:13].C1(N=C=NC2CCCCC2)CCCCC1>ClCCl>[CH2:11]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20]1[CH:21]=[CH:22][C:23]([C:26]2[CH:31]=[CH:30][C:29]([O:9][C:1](=[O:10])[CH2:2]/[CH:3]=[CH:4]\[CH2:5][CH2:6][CH2:7][CH3:8])=[CH:28][N:27]=2)=[CH:24][CH:25]=1)[CH2:12][CH3:13] | 1 |
C=C1C[C@@]2(CCCN2C1)CO>ClCCl.C(=O)(C(F)(F)F)O.O=[O+][O-].N#N>OC[C@]12CCCN2CC(C1)=O | 3 |
[N+]([O-])(O)=O.[N+]([O-])(O)=O.[CH3:9][O:10][C:11]1[CH:12]=[C:13]([NH:23][C:24]([NH2:26])=[NH:25])[CH:14]=[CH:15][C:16]=1[N:17]1[CH:21]=[C:20]([CH3:22])[N:19]=[CH:18]1.O=[C:28]([CH2:34][C:35](=O)[CH3:36])[C:29]([O:31][CH2:32][CH3:33])=[O:30].C(=O)([O-])[O-].[K+].[K+]>C(O)C.C(OCC)(=O)C>[CH3:9][O:10][C:11]1[CH:12]=[C:13]([NH:23][C:24]2[N:26]=[C:28]([C:29]([O:31][CH2:32][CH3:33])=[O:30])[CH:34]=[C:35]([CH3:36])[N:25]=2)[CH:14]=[CH:15][C:16]=1[N:17]1[CH:21]=[C:20]([CH3:22])[N:19]=[CH:18]1 | 1 |
O(C1=CC=CC=C1)[C@@H](C(=O)OC)C>C(C)(=O)O.C(C)(=O)[O-].[Na+].B(F)(F)F>C(C)(=O)C1=CC=C(O[C@@H](C(=O)OC)C)C=C1 | 3 |
[Br:1][C:2]1[CH:6]=[C:5]([C:7]([O:9]C)=[O:8])[N:4]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=2[Cl:17])[N:3]=1.[OH-].[Na+]>CO.O>[Br:1][C:2]1[CH:6]=[C:5]([C:7]([OH:9])=[O:8])[N:4]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=2[Cl:17])[N:3]=1 | 2 |
C(C)(C)(C)OC(=O)N[C@@H]1[C@@H](CCCC1)NC1=C(C2=C(C(=N1)Cl)C(N(C2)C(=O)OC(C)(C)C)=O)F.CN1N=C(C2=C1SC(=C2)[Sn](CCCC)(CCCC)CCCC)C>>C(C)(C)(C)OC(=O)N[C@@H]1[C@@H](CCCC1)NC1=C(C2=C(C(=N1)C1=CC3=C(N(N=C3C)C)S1)C(N(C2)C(=O)OC(C)(C)C)=O)F | 5 |
[CH2:1]([O:3][C:4](=[O:27])[CH2:5][O:6][C:7]1[CH:16]=[CH:15][C:14]2[C:9](=[CH:10][CH:11]=[C:12]([C:17]3[S:21][C:20]4[CH:22]=[CH:23][CH:24]=[CH:25][C:19]=4[CH:18]=3)[CH:13]=2)[C:8]=1[Br:26])[CH3:2].[C:28]([CH2:32][C:33](Cl)=[O:34])([CH3:31])([CH3:30])[CH3:29].[Sn](Cl)(Cl)(Cl)Cl>C(Cl)(Cl)Cl>[CH2:1]([O:3][C:4](=[O:27])[CH2:5][O:6][C:7]1[CH:16]=[CH:15][C:14]2[C:9](=[CH:10][CH:11]=[C:12]([C:17]3[S:21][C:20]4[CH:22]=[CH:23][CH:24]=[CH:25][C:19]=4[C:18]=3[C:33](=[O:34])[CH2:32][C:28]([CH3:31])([CH3:30])[CH3:29])[CH:13]=2)[C:8]=1[Br:26])[CH3:2] | 1 |
NC1=C(C(=C(C(=N1)C)[C@@H](C(=O)OC(C)C)OC(C)(C)C)N1CCC(CC1)(C)C)C1=CC=C(C=C1)OCCC1=CC=C(C=C1)F>CCO[H].[OH-].[Na+]>NC1=C(C(=C(C(=N1)C)[C@@H](C(=O)O)OC(C)(C)C)N1CCC(CC1)(C)C)C1=CC=C(C=C1)OCCC1=CC=C(C=C1)F | 3 |
N1N=CC=2C1=CN=CC2.O(Br)Br.[Na]>O.BrBr.[OH-].[Na+].[Cl-].[NH4+]>BrC1=NNC2=CN=CC=C21 | 3 |
C[O:2][C:3](=[O:31])[CH2:4][C:5]1[C:6]([CH3:30])=[N:7][N:8]([CH2:11][C:12]2[CH:17]=[CH:16][C:15]([CH2:18][S:19][C:20]3[CH:25]=[CH:24][C:23]([C:26]([F:29])([F:28])[F:27])=[CH:22][CH:21]=3)=[CH:14][CH:13]=2)[C:9]=1[CH3:10].[OH-].[Na+].O.Cl>O1CCOCC1>[CH3:30][C:6]1[C:5]([CH2:4][C:3]([OH:31])=[O:2])=[C:9]([CH3:10])[N:8]([CH2:11][C:12]2[CH:13]=[CH:14][C:15]([CH2:18][S:19][C:20]3[CH:21]=[CH:22][C:23]([C:26]([F:29])([F:28])[F:27])=[CH:24][CH:25]=3)=[CH:16][CH:17]=2)[N:7]=1 | 1 |
[CH3:1][O:2][C:3](=[O:15])[C:4]1[CH:9]=[C:8]([CH3:10])[CH:7]=[C:6]([N+:11]([O-])=O)[C:5]=1[NH2:14].[H][H]>CO.[Pd]>[CH3:1][O:2][C:3](=[O:15])[C:4]1[CH:9]=[C:8]([CH3:10])[CH:7]=[C:6]([NH2:11])[C:5]=1[NH2:14] | 1 |
F[CH2:2][CH2:3][O:4][C:5]1[C:14]([C:15]([O:17]CCF)=[O:16])=[CH:13][C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[N:6]=1.[Li+].[OH-:22]>CO>[OH:22][CH2:2][CH2:3][O:4][C:5]1[C:14]([C:15]([OH:17])=[O:16])=[CH:13][C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[N:6]=1 | 2 |
[N+:1]([C:4]1[CH:5]=[C:6]([CH2:10][C:11]#[N:12])[CH:7]=[CH:8][CH:9]=1)([O-])=O>[Fe]>[NH2:1][C:4]1[CH:5]=[C:6]([CH2:10][C:11]#[N:12])[CH:7]=[CH:8][CH:9]=1 | 1 |
C1CC(=O)C2=CC=CC=C21>>I.S1C(=NC2=C1CC=1C=CC=CC12)N | 5 |
[Cl:1][C:2]1[C:11]2[N:12]=[C:13]([CH2:18][O:19][CH2:20][CH3:21])[N:14]([CH2:15][CH2:16][NH2:17])[C:10]=2[C:9]2[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=2[N:3]=1.[C:22]1(=[O:27])[CH2:26][CH2:25][CH2:24][CH2:23]1.S([O-])([O-])(=O)=O.[Mg+2].[CH:34](=[N:36]O)[CH3:35].ClN1C(=O)CCC1=O.C(N(CC)CC)C>ClCCl>[Cl:1][C:2]1[C:11]2[N:12]=[C:13]([CH2:18][O:19][CH2:20][CH3:21])[N:14]([CH2:15][CH2:16][N:17]3[C:22]4([CH2:26][CH2:25][CH2:24][CH2:23]4)[O:27][N:36]=[C:34]3[CH3:35])[C:10]=2[C:9]2[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=2[N:3]=1 | 1 |
COCOC.O[C@]1(C(C(CC1)(C)CO)(C)C)C(=O)O>>CC12COCO[C@](CC1)(C2(C)C)C(=O)O | 5 |
ClC1=CC(=C(C=C1)N)C.[N+](=O)([O-])C=1C(=C(C(=O)Cl)C=CC1)C(=O)OCC>>[N+](=O)([O-])C=1C=CC=C(C1C(=O)OCC)C(=O)NC1=C(C=C(C=C1)Cl)C | 5 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:19]=[CH:20][C:21]=1[O:22][CH3:23])[C:6]([NH:8][CH2:9][C:10]1[CH:11]=[C:12]([CH:16]=[CH:17][CH:18]=1)[C:13]([OH:15])=O)=[O:7].[N:24]1([CH:30]2[CH2:38][C:37]3[C:32](=[CH:33][CH:34]=[C:35]([NH2:39])[CH:36]=3)[CH2:31]2)[CH2:29][CH2:28][O:27][CH2:26][CH2:25]1.CN(C=O)C.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F>CCOC(C)=O>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:19]=[CH:20][C:21]=1[O:22][CH3:23])[C:6]([NH:8][CH2:9][C:10]1[CH:18]=[CH:17][CH:16]=[C:12]([C:13](=[O:15])[NH:39][C:35]2[CH:36]=[C:37]3[C:32](=[CH:33][CH:34]=2)[CH2:31][CH:30]([N:24]2[CH2:25][CH2:26][O:27][CH2:28][CH2:29]2)[CH2:38]3)[CH:11]=1)=[O:7] | 1 |
NC=1C(=NC=CC1)Cl>>Cl.ClC1=NC=CC=C1NN | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C[C@H]1CNC=2N1C1=C(C=NC3=CC=CC=C13)N2>C1CCCO1.C(Cl)(Cl)(Cl)[H].[OH-].[Na+]>C[C@H]1CN(C=2N1C1=C(C=NC3=CC=CC=C13)N2)C(=O)OC(C)(C)C | 3 |
S1C=C(C2=C1C=CC=C2)C(C)N.ClC1=NC(=NC2=CC(=C(C=C12)OC)OC)C>CS(=O)C.C(C)(C)N(C(C)C)CC>S1C=C(C2=C1C=CC=C2)C(C)NC2=NC(=NC1=CC(=C(C=C21)OC)OC)C | 3 |
[OH:1][C:2]1[CH:3]=[C:4]([NH:9][C:10]([NH2:12])=[S:11])[CH:5]=[CH:6][C:7]=1[CH3:8].Br[CH2:14][C:15](=O)[CH3:16]>CN(C=O)C>[CH3:8][C:7]1[CH:6]=[CH:5][C:4]([NH:9][C:10]2[S:11][CH:14]=[C:15]([CH3:16])[N:12]=2)=[CH:3][C:2]=1[OH:1] | 1 |
Cl.Cl.Cl.[O:4]1[C:8]2=[C:9]([N:13]3[CH2:18][CH2:17][N:16]([CH2:19][CH2:20][C@H:21]4[CH2:26][CH2:25][C@H:24]([NH2:27])[CH2:23][CH2:22]4)[CH2:15][CH2:14]3)[N:10]=[CH:11][CH:12]=[C:7]2[CH2:6][CH2:5]1.[O:28]1[CH2:33][CH2:32][O:31][CH2:30][C@@H:29]1[CH2:34][C:35](O)=[O:36]>>[O:4]1[C:8]2=[C:9]([N:13]3[CH2:18][CH2:17][N:16]([CH2:19][CH2:20][C@H:21]4[CH2:26][CH2:25][C@H:24]([NH:27][C:35](=[O:36])[CH2:34][C@H:29]5[CH2:30][O:31][CH2:32][CH2:33][O:28]5)[CH2:23][CH2:22]4)[CH2:15][CH2:14]3)[N:10]=[CH:11][CH:12]=[C:7]2[CH2:6][CH2:5]1 | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C:11]2([C:21]3[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=3)[CH:15]=[CH:14]2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C1C[O:25]CC1.B1C2CCCC1CCC2.C1C=C[NH+]=CC=1.[O-][Cr](Cl)(=O)=O>CCOCC>[C:1]([O:5][C:6]([N:8]1[CH2:9][CH2:10][C:11]2([C:21]3[CH:16]([CH2:17][CH:18]=[CH:19][CH:20]=3)[C:15](=[O:25])[CH2:14]2)[CH2:12][CH2:13]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
CCOC(=O)CC(=O)C(=O)OCC>O.[OH-].[Na+].C([O-])([O-])=O.[Na+].[Na+].Cl.NO>OC=1C(=NON1)CC(=O)O | 3 |
OC1=CC(=C(C=O)C=C1)OC(F)(F)F>CCO[H].[HH].[Pd].C(C)(=O)O>CC1=C(C=C(C=C1)O)OC(F)(F)F | 3 |
[CH3:1]/[C:2](/[CH:9]=[CH:10]/[CH:11]=[C:12](\[CH3:29])/[CH:13]=[CH:14]/[C:15]1[C:20]([CH3:21])=[CH:19][C:18]([O:22][C:23]([F:26])([F:25])[F:24])=[C:17]([CH3:27])[C:16]=1[CH3:28])=[CH:3]\[C:4](OCC)=[O:5].[H-].C([Al+]CC(C)C)C(C)C.S([O-])([O-])(=O)=O.[Mg+2]>C(Cl)Cl.CCCCCC>[CH3:1]/[C:2](=[CH:9]\[CH:10]=[CH:11]\[C:12](\[CH3:29])=[CH:13]\[CH2:14][C:15]1[C:20]([CH3:21])=[CH:19][C:18]([O:22][C:23]([F:24])([F:26])[F:25])=[C:17]([CH3:27])[C:16]=1[CH3:28])/[CH:3]=[CH:4]/[OH:5] | 1 |
BrC1=CC=C(C=C1)C(F)(F)F>CO[H].[Na].[Cu]>FC(C1=CC=C(C=C1)OC)(F)F | 3 |
C(C)(=O)SCC1C(N[C@@H](CSCCCCCCCC1)C(=O)OCC1=CC=CC=C1)=O>Cl.O[Li].O>SCC1C(N[C@@H](CSCCCCCCCC1)C(=O)O)=O | 3 |
[F:1][C:2]1[CH:7]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:5]=[CH:4][C:3]=1[C:12]1[N:20]=[CH:19][N:18]=[C:17]2[C:13]=1[N:14]=[CH:15][N:16]2[C:21]1[CH:26]=[CH:25][C:24]([O:27]C)=[CH:23][CH:22]=1.B(Br)(Br)Br.CO.O>ClCCl>[F:1][C:2]1[CH:7]=[C:6]([C:8]([F:9])([F:10])[F:11])[CH:5]=[CH:4][C:3]=1[C:12]1[N:20]=[CH:19][N:18]=[C:17]2[C:13]=1[N:14]=[CH:15][N:16]2[C:21]1[CH:26]=[CH:25][C:24]([OH:27])=[CH:23][CH:22]=1 | 2 |
IC=1C(=NC=CC1)C(=O)OC.C(C)(C)(C)OC(CNC(=O)N)=O>[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(C)(=O)OCC.O1CCOCC1.C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)(C)OC(CN1C(NC2=C(C1=O)N=CC=C2)=O)=O | 3 |
[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[N:7][C:6]([N+:12]([O-:14])=[O:13])=[C:5]2Cl.[NH2:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]([CH3:27])([CH3:26])[C:24]#[N:25])=[CH:19][CH:18]=1.C([O-])([O-])=O.[K+].[K+]>CC#N>[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[N:7][C:6]([N+:12]([O-:14])=[O:13])=[C:5]2[NH:16][C:17]1[CH:18]=[CH:19][C:20]([C:23]([CH3:27])([CH3:26])[C:24]#[N:25])=[CH:21][CH:22]=1 | 1 |
CC(=O)C1=CC=C(C=C1)[N+](=O)[O-]>>[N+](=O)([O-])C1=CC=C(C=C1)C(C#N)C | 5 |
[ClH:1].O[CH2:3][C:4]1[N:5]=[CH:6][NH:7][C:8]=1[C:9]1[CH:14]=[CH:13][C:12]([Cl:15])=[CH:11][CH:10]=1>S(Cl)(Cl)=O>[ClH:15].[Cl:1][CH2:3][C:4]1[N:5]=[CH:6][NH:7][C:8]=1[C:9]1[CH:14]=[CH:13][C:12]([Cl:15])=[CH:11][CH:10]=1 | 1 |
[CH3:1][O:2][C:3](=[O:19])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([CH2:10][N:11]2[C:16](=[O:17])[CH:15]=[CH:14][C:13](Cl)=[N:12]2)[CH:5]=1.CC1(C)C(C)(C)OB([C:28]2[CH:29]=[CH:30][C:31]([CH2:34][OH:35])=[N:32][CH:33]=2)O1.C([O-])([O-])=O.[Na+].[Na+]>CN(C=O)C.O.O.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>[CH3:1][O:2][C:3](=[O:19])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([CH2:10][N:11]2[C:16](=[O:17])[CH:15]=[CH:14][C:13]([C:28]3[CH:33]=[N:32][C:31]([CH2:34][OH:35])=[CH:30][CH:29]=3)=[N:12]2)[CH:5]=1 | 2 |
COC(OC)=O.C(C(O)C)(=S)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>CSC(C(=O)O)C | 3 |
[C-]#N.[Na+].C(C)[C@H]1N([C@@H]1C=O)C(=O)OC(C)(C)C>>C(C)[C@@H]1[C@H](N1C(=O)OC(C)(C)C)C(=O)OC | 5 |
[CH3:1][O:2][C:3]([C:5]1[S:6][C:7]([Br:27])=[CH:8][C:9]=1[N:10]([C:18]([C@H:20]1[CH2:25][CH2:24][C@H:23]([CH3:26])[CH2:22][CH2:21]1)=[O:19])[CH:11]1[CH2:16][CH2:15][C:14](=O)[CH2:13][CH2:12]1)=[O:4].C(N(S(F)(F)[F:34])CC)C>C1(C)C=CC=CC=1.C(Cl)Cl>[CH3:1][O:2][C:3]([C:5]1[S:6][CH:7]=[CH:8][CH:9]=1)=[O:4].[CH3:1][O:2][C:3]([C:5]1[S:6][C:7]([Br:27])=[CH:8][C:9]=1[N:10]([CH:11]1[CH2:16][CH2:15][C:14]([F:34])=[CH:13][CH2:12]1)[C:18]([C@H:20]1[CH2:25][CH2:24][C@H:23]([CH3:26])[CH2:22][CH2:21]1)=[O:19])=[O:4] | 2 |
C(C)OC(OCC)OCC.FC1=C(C(=O)CC#N)C=C(C(=C1F)F)F>C(C)(=O)OC(C)=O>C(C)OC=C(C#N)C(C1=C(C(=C(C(=C1)F)F)F)F)=O | 3 |
N1CC[C@H](CCC1)NC(OC(C)(C)C)=O.CC1=CC=C(C=C1)S(=O)(=O)OCCN(C)C>CC#N.C(C)(C)N(C(C)C)CC>CN(CCN1CC[C@H](CCC1)NC(OC(C)(C)C)=O)C | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([C:13]2[CH:18]([CH2:19][CH3:20])[S:17][C:16](=[O:21])[NH:15][N:14]=2)[CH:6]=[CH:7][C:8]=1[O:9][CH:10]([F:12])F.Cl[CH2:23][CH2:24][CH2:25][N:26]1[CH2:31][CH2:30]O[CH2:28][CH2:27]1>>[N:26]1([CH2:25][CH2:24][CH2:23][N:15]2[N:14]=[C:13]([C:5]3[CH:6]=[CH:7][C:8]([O:9][CH2:10][F:12])=[C:3]([O:2][CH3:1])[CH:4]=3)[CH:18]([CH2:19][CH3:20])[S:17][C:16]2=[O:21])[CH2:31][CH2:30][CH2:28][CH2:27]1 | 1 |
NC=1C=NC=CC1N1C[C@H](C[C@H](C1)C)NC(OC(C)(C)C)=O.BrC1=CN=C2C=CC(=NC2=C1)C(=O)O>>N[C@@H]1CN(C[C@@H](C1)C)C1=C(C=NC=C1)NC(=O)C1=NC2=CC(=CN=C2C=C1)Br | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]2[CH:8]=[C:9]([C:11]([OH:13])=O)[S:10][C:3]=12.O=S(Cl)Cl.[CH3:18][NH:19][CH3:20].C1COCC1.CCN(CC)CC>>[Cl:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]2[CH:8]=[C:9]([C:11]([N:19]([CH3:20])[CH3:18])=[O:13])[S:10][C:3]=12 | 1 |
OS(=O)(=O)O.O=S(=O)=O.C1(CCCC1)C1=CC(N(N1)C)C(=O)O>[N+](=O)(O)[O-]>C1(CCCC1)C1=C(C(N(N1)C)C(=O)O)[N+](=O)[O-] | 3 |
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