smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
ClC=1C=[N+](C=C(C1C[C@H](O)C1=CC(=C(C=C1)OC(F)F)OCC1CC1)Cl)[O-].COC=1C=C2CC(N(C2=CC1)CC(=O)O)=O>C1(=CC=NC=C1)N(C)C.ClCCl.CCN=C=NCCCN(C)C>ClC=1C=[N+](C=C(C1C[C@H](OC(CN1C(CC2=CC(=CC=C12)OC)=O)=O)C1=CC(=C(C=C1)OC(F)F)OCC1CC1)Cl)[O-] | 3 |
C(C1=CC=CC=C1)N.BrC1=CSC2=C1N=C(N=C2Cl)Cl>C1CCCO1>C(C1=CC=CC=C1)NC=1C2=C(N=C(N1)Cl)C(=CS2)Br | 3 |
C(C)(=O)C1=CC=C(C=O)C=C1>>BrCC(=O)C1=CC=C(C=O)C=C1 | 5 |
O1C(NC2=NC=CC=C21)=O.CC1CCN(CC1)C(=O)Cl>>CC1CCN(CC1)C(=O)N1C(OC=2C1=NC=CC2)=O | 5 |
Cl.C1(=CC=CC=C1)CN1CCC(CC1)(C)NC(C)=O>CO[H].[HH].[Pd]C>Cl.CC1(CCNCC1)NC(C)=O | 3 |
[F:1][C:2]1[C:3]([N:23]2[C:31](=[O:32])[C:30]3[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=3)[C:24]2=[O:33])=[CH:4][C:5]([S:9]([N:12]2[C:18]3[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=3[CH2:16][CH2:15][CH2:14][CH2:13]2)(=[O:11])=[O:10])=[C:6]([OH:8])[CH:7]=1.C(=O)([O-])[O-].[Cs+].[Cs+].Br[CH2:41][CH2:42][O:43][Si:44]([C:47]([CH3:50])([CH3:49])[CH3:48])([CH3:46])[CH3:45].O>CN(C)C=O>[F:1][C:2]1[C:3]([N:23]2[C:24](=[O:33])[C:25]3[C:30](=[CH:29][CH:28]=[CH:27][CH:26]=3)[C:31]2=[O:32])=[CH:4][C:5]([S:9]([N:12]2[C:18]3[CH:19]=[CH:20][CH:21]=[CH:22][C:17]=3[CH2:16][CH2:15][CH2:14][CH2:13]2)(=[O:10])=[O:11])=[C:6]([O:8][CH2:41][CH2:42][O:43][Si:44]([C:47]([CH3:50])([CH3:49])[CH3:48])([CH3:46])[CH3:45])[CH:7]=1 | 1 |
Cl[C:2]1[C:7]2[C:8]([C:11]([C:13]3[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:15][CH:14]=3)=[O:12])=[CH:9][O:10][C:6]=2[C:5]([Cl:21])=[CH:4][C:3]=1[OH:22].CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=[O:25]>CS(C)=O>[Cl:21][C:5]1[C:6]2[O:10][CH:9]=[C:8]([C:11](=[O:12])[C:13]3[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:15][CH:14]=3)[C:7]=2[C:2](=[O:25])[C:3](=[O:22])[CH:4]=1 | 1 |
[OH:1][CH2:2][C@H:3]1[CH2:5][C@H:4]1[C:6]#[N:7].[N:8]1[C:15]([Cl:16])=[N:14][C:12](Cl)=[N:11][C:9]=1[Cl:10].CCN(C(C)C)C(C)C>C1COCC1>[Cl:10][C:9]1[N:8]=[C:15]([Cl:16])[N:14]=[C:12]([O:1][CH2:2][C@H:3]2[CH2:5][C@H:4]2[C:6]#[N:7])[N:11]=1 | 2 |
ClC=1C2=C(N=CN1)N(C=C2)S(=O)(=O)C2=CC=C(C=C2)C.N1C(=NC=C1)NC=1C=C(C=CC1C)NC(C1=CC=CC=C1)=O>>CC1=C(C=C(C=C1)NC(C1=CC=CC=C1)=O)NC=1N(C=CN1)C=1C2=C(N=CN1)NC=C2 | 5 |
C[O:2][C:3](=[O:24])[CH:4]([N:8]1[C:12](=[O:13])[CH:11]([CH2:14][O:15][C:16]2[CH:21]=[CH:20][C:19]([Br:22])=[CH:18][CH:17]=2)[NH:10][C:9]1=[O:23])[CH:5]([CH3:7])[CH3:6]>Cl>[Br:22][C:19]1[CH:18]=[CH:17][C:16]([O:15][CH2:14][CH:11]2[C:12](=[O:13])[N:8]([CH:4]([CH:5]([CH3:6])[CH3:7])[C:3]([OH:24])=[O:2])[C:9](=[O:23])[NH:10]2)=[CH:21][CH:20]=1 | 1 |
IC1=CC=CC=C1.COC(OC)=O.C1(CCCCC1)B(O)O>P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C1(=CC=CC=C1)C1=CC=CC=C1 | 3 |
C(C)OC(CCC1=CC=C(C=C1)O)=O.FC(C1=CC=C(C=C1)C1=CC=CC(=N1)C(CCCC)O)(F)F>>FC(C1=CC=C(C=C1)C1=CC=CC(=N1)C(CCCC)OC1=CC=C(C=C1)CCC(=O)OCC)(F)F | 5 |
[CH3:1][C:2]1[C:3]([N+:15]([O-])=O)=[C:4]([NH:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)[CH:5]=[CH:6][CH:7]=1>CCOC(C)=O.[Pd]>[CH3:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([NH:8][C:9]2[CH:10]=[CH:11][CH:12]=[CH:13][CH:14]=2)[C:3]=1[NH2:15] | 1 |
FC1C=CC=C(F)C=1[C:9]1[CH:10]=[C:11]2[C:15]3=[C:16]([CH2:18][NH:19][CH2:20][CH2:21][N:14]3[C@H:13]3[CH2:22][CH2:23][NH:24][CH2:25][C@@H:12]23)[CH:17]=1.[Cl:26][C:27]1[CH:32]=[C:31]([Cl:33])[CH:30]=[CH:29][C:28]=1B(O)O.[OH-].[Ba+2].[OH-]>COCCOC.C(OCC)(=O)C.O>[Cl:26][C:27]1[CH:32]=[C:31]([Cl:33])[CH:30]=[CH:29][C:28]=1[C:9]1[CH:10]=[C:11]2[C:15]3=[C:16]([CH2:18][NH:19][CH2:20][CH2:21][N:14]3[C@H:13]3[CH2:22][CH2:23][NH:24][CH2:25][C@@H:12]23)[CH:17]=1 | 1 |
P(Cl)(Cl)(Cl)=O.[C:6]([S:9][C@H:10]1[CH2:14][C@@H:13]([C:15]([NH:17][CH2:18][C:19]2[S:20][CH:21]=[CH:22][N:23]=2)=O)[N:12]([C:24]([O:26][CH2:27][CH:28]=[CH2:29])=[O:25])[CH2:11]1)(=[O:8])[CH3:7]>C1(C)C=CC=CC=1>[C:6]([S:9][C@H:10]1[CH2:14][CH:13]([C:15]2[N:23]3[C:19]([S:20][CH:21]=[CH:22]3)=[CH:18][N:17]=2)[N:12]([C:24]([O:26][CH2:27][CH:28]=[CH2:29])=[O:25])[CH2:11]1)(=[O:8])[CH3:7] | 1 |
[Br:1][C:2]1[CH:3]=[C:4]([C:8]([NH:13][C:14](=[O:17])[CH2:15]Cl)([CH2:11][OH:12])[CH2:9][OH:10])[CH:5]=[CH:6][CH:7]=1.CC(O)(C)C.CC(C)([O-])C.[K+].Cl>CC(OC)(C)C.O>[Br:1][C:2]1[CH:3]=[C:4]([C:8]2([CH2:11][OH:12])[NH:13][C:14](=[O:17])[CH2:15][O:10][CH2:9]2)[CH:5]=[CH:6][CH:7]=1 | 1 |
[CH3:1][O:2][C:3]1[CH:10]=[CH:9][C:6]([CH2:7][NH2:8])=[CH:5][CH:4]=1.[O:11]1[CH2:16][CH2:15][C:14](=O)[CH2:13][CH2:12]1.[C:18](O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+].C=O.C(=O)(O)[O-].[Na+]>ClCCCl>[CH3:18][N:8]([CH2:7][C:6]1[CH:9]=[CH:10][C:3]([O:2][CH3:1])=[CH:4][CH:5]=1)[CH:14]1[CH2:15][CH2:16][O:11][CH2:12][CH2:13]1 | 1 |
C([Mg]Cl)(C)C.[O:6]1[CH2:10][CH2:9][CH2:8][CH2:7]1.[CH3:11][C:12]([CH3:24])([CH3:23])[C:13]([NH:15][C:16]1[CH:21]=CC=C(Br)[N:17]=1)=[O:14].C1(C)C=CC=CC=1.CN(C)C=O>C(O)(=O)C>[CH3:11][C:12]([CH3:24])([CH3:23])[C:13]([NH:15][C:16]1[CH:21]=[CH:7][CH:8]=[C:9]([CH:10]=[O:6])[N:17]=1)=[O:14] | 1 |
COC1=CC=C(C(=O)CC(=O)OCC)C=C1.ClC1=CC=C(C=C1)C=1C(=NNC1N)C>c1ccncc1>ClC1=CC=C(C=C1)C=1C(=NN2C1NC(C=C2C2=CC=C(C=C2)OC)=O)C | 3 |
[C:1]([NH2:5])(=[O:4])[CH:2]=[CH2:3].[CH2:6]([C:16](=C)[C:17]([NH2:19])=[O:18])CCCCCCCCC.[CH:21]([C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=1[CH:29]=[CH2:30])=[CH2:22].O>C(O)C>[C:1]([NH2:5])(=[O:4])[CH:2]=[CH2:3].[CH2:30]([NH:19][C:17](=[O:18])[CH:16]=[CH2:6])[CH2:29][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:23][CH2:21][CH3:22] | 1 |
C(#C)C1=NN(C(=C1C(=O)N)NC)[C@@H]1CN([C@H](C1)COC)C(C=C)=O.ClC=1C(=C(C2=C(N(C=N2)CC)C1)F)I>[Cu]I.N(C)(C)C=O.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].CCN(CC)CC>ClC=1C(=C(C2=C(N(C=N2)CC)C1)F)C#CC1=NN(C(=C1C(=O)N)NC)[C@@H]1CN([C@H](C1)COC)C(C=C)=O | 3 |
Br[C:2]1[C:7]([CH3:8])=[CH:6][N+:5]([O-:9])=[C:4]([CH3:10])[C:3]=1[CH3:11].O1CC[CH2:14][CH2:13]1.C([Al](CC)CC)C.[Cl-].[NH4+]>C1(C)C=CC=CC=1.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.CO>[CH2:13]([C:2]1[C:7]([CH3:8])=[CH:6][N+:5]([O-:9])=[C:4]([CH3:10])[C:3]=1[CH3:11])[CH3:14] | 1 |
BrC1=NN2CC(N(CCC2=C1)C(C)C)=O.NC1=NC2=CC(=CC=C2C=N1)C1=C(C2=C(OCCN2C(=O)OC(C)(C)C)N=C1)C>C1(=CC=CC=C1)C.ClCCl.CS(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+].C(C)(C)(C)P(C1=C(C(=CC=C1OC)OC)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C)C(C)(C)C.CS(=O)(=O)O[Pd]c1ccccc1-c2ccccc2N.COc3ccc(OC)c(c3P(C4CCCCC4)C5CCCCC5)-c6c(cc(cc6C(C)C)C(C)C)C(C)C>C(C)(C)N1C(CN2C(CC1)=CC(=N2)NC2=NC1=CC(=CC=C1C=N2)C2=C(C1=C(OCCN1)N=C2)C)=O | 3 |
CC([C@@H](C1=CC=CC=C1)NC(=O)C1=C(C(=NC2=CC=CC=C12)C1=CC=CC=C1)CN1CCNCC1)C.C(=C)S(=O)(=O)OC1=CC=CC=C1>ClCCl>C1(=CC=CC=C1)OS(=O)(=O)CCN1CCN(CC1)CC=1C(=NC2=CC=CC=C2C1C(N[C@@H](C(C)C)C1=CC=CC=C1)=O)C1=CC=CC=C1 | 3 |
[CH3:1][CH:2]([C:8](OCC)=O)[C:3]([O:5][CH2:6][CH3:7])=[O:4].Br[CH2:14][CH3:15].[C:16](=[O:19])([O-:18])[O-].[K+].[K+].[CH3:22]N(C)C=O>>[CH2:8]([C:2]([CH3:1])([C:3]([O:5][CH2:6][CH3:7])=[O:4])[C:16]([O:18][CH2:14][CH3:15])=[O:19])[CH3:22] | 1 |
COC=1C=C(C=CC1)B(O)O.COC=1C=C(C=C(C1)OC)I>>COC=1C=C(C=C(C1)OC)C1=CC(=CC=C1)OC | 5 |
BrC(C)(C)C.C(C1=CC=CC=C1)OC(=O)N[C@@H](C)C1=CC=C(C(=O)O)C=C1>>C(C1=CC=CC=C1)OC(=O)N[C@@H](C)C1=CC=C(C(=O)OC(C)(C)C)C=C1 | 5 |
[I:1][C:2]1[CH:3]=[CH:4][C:5]([O:10][CH3:11])=[C:6]([CH2:8][OH:9])[CH:7]=1.[CH3:12][S:13](Cl)(=[O:15])=[O:14]>C(Cl)Cl>[CH3:12][S:13]([O:9][CH2:8][C:6]1[CH:7]=[C:2]([I:1])[CH:3]=[CH:4][C:5]=1[O:10][CH3:11])(=[O:15])=[O:14] | 2 |
C(C)(C)(C)S(=NC(C(C)(C)C)=O)(=O)C>ClCCl.C(=O)(C(F)(F)F)O.C([O-])([O-])=O.[Na+].[Na+]>CC(C(=O)NS(=O)C)(C)C | 3 |
C(C1=CC=CC=C1)(=O)O.FC(C=1C=C(C=C(C1)C(F)(F)F)C(C(=O)N(C)C=1C=NC(=CC1C1=C(C=C(C=C1)F)C)N1[C@@H]([C@H](CC1)O)CO)(C)C)(F)F>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>FC(C=1C=C(C=C(C1)C(F)(F)F)C(C(=O)N(C)C=1C=NC(=CC1C1=C(C=C(C=C1)F)C)N1[C@@H]([C@@H](CC1)O)CO)(C)C)(F)F.FC(C=1C=C(C=C(C1)C(F)(F)F)C(C(=O)N(C)C=1C=NC(=CC1C1=C(C=C(C=C1)F)C)N1[C@@H](C=CC1)CO)(C)C)(F)F | 3 |
BrCCC(C)C.NCC(=O)C1=CC=CC=C1>>OC(CCC(C)C)(C)C1=C(N)C=CC=C1 | 5 |
C1(CC1)N1CCN(CC1)C1(CCN(CC1)C(=O)OC(C)(C)C)CNC(C1=CC=NC=C1)=O>>Cl.Cl.C1(CC1)N1CCN(CC1)C1(CCNCC1)CNC(C1=CC=NC=C1)=O | 5 |
Br[C:2]1[C:3]2[C:4]([S:20][C:21]3[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][CH:22]=3)=[C:5]3[CH:14]([CH2:15][C:16]([O:18]C)=[O:17])[CH2:13][CH2:12][N:6]3[C:7]=2[CH:8]=[C:9]([F:11])[CH:10]=1.C([Sn](CCCC)(CCCC)[C:33]1[S:34][CH:35]=[CH:36][CH:37]=1)CCC>>[Cl:27][C:24]1[CH:23]=[CH:22][C:21]([S:20][C:4]2[C:3]3[C:2]([C:33]4[S:34][CH:35]=[CH:36][CH:37]=4)=[CH:10][C:9]([F:11])=[CH:8][C:7]=3[N:6]3[CH2:12][CH2:13][CH:14]([CH2:15][C:16]([OH:18])=[O:17])[C:5]=23)=[CH:26][CH:25]=1 | 2 |
CO[C@H]1CC[C@H](CC1)N1CC(NC2=NC=C(N=C21)C=2C(=NC(=CC2)C2=NN=CN2C2OCCCC2)C)=O>Cl>CO[C@H]1CC[C@H](CC1)N1CC(NC2=NC=C(N=C21)C=2C(=NC(=CC2)C2=NN=CN2)C)=O | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:9]=[C:10]([O:13][CH3:14])[C:11]=1[CH3:12])[C:6]([NH2:8])=O.S(Cl)(Cl)=O.CN(C=O)C>C1(C)C=CC=CC=1>[CH3:14][O:13][C:10]1[CH:9]=[C:5]([CH:4]=[C:3]([O:2][CH3:1])[C:11]=1[CH3:12])[C:6]#[N:8] | 2 |
O([Si](C)(C)C(C)(C)C)[C@@H](CCO)C.FC=1C=C(C=CC1F)N1N=CC(=C(C1=O)Br)Br>>FC=1C=C(C=CC1F)N1N=CC(=C(C1=O)OCC[C@@H](C)O[Si](C)(C)C(C)(C)C)Br | 5 |
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2(O)[CH2:13][CH2:12][N:11]([CH2:14][C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)[CH2:10][CH2:9]2)=[CH:4][CH:3]=1.[NH3:22]>>[C:15]1([CH2:14][N:11]2[CH2:12][CH:13]=[C:8]([C:5]3[CH:6]=[CH:7][C:2]([NH2:22])=[CH:3][CH:4]=3)[CH2:9][CH2:10]2)[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1 | 1 |
C(C=C)Br.N[C@@H](CS)C(=O)O>O.C(C)(=O)O>C(C=C)SC[C@H](N)C(=O)O | 3 |
Cl[C:2]1[CH:7]=[CH:6][N:5]2[C:8](=[O:23])[N:9]([CH2:11][C:12]3[C:13]([CH3:22])=[N:14][C:15]([C:18]([F:21])([F:20])[F:19])=[CH:16][CH:17]=3)[N:10]=[C:4]2[C:3]=1[C:24]1[CH:29]=[CH:28][N:27]=[CH:26][CH:25]=1.[C:30]([C:32]1[CH:37]=[CH:36][C:35](B(O)O)=[CH:34][CH:33]=1)#[N:31].C(=O)([O-])[O-].[Na+].[Na+]>C1(C)C=CC=CC=1.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>[CH3:22][C:13]1[C:12]([CH2:11][N:9]2[C:8](=[O:23])[N:5]3[CH:6]=[CH:7][C:2]([C:35]4[CH:36]=[CH:37][C:32]([C:30]#[N:31])=[CH:33][CH:34]=4)=[C:3]([C:24]4[CH:29]=[CH:28][N:27]=[CH:26][CH:25]=4)[C:4]3=[N:10]2)=[CH:17][CH:16]=[C:15]([C:18]([F:21])([F:20])[F:19])[N:14]=1 | 1 |
IC1=CC=C(C=C1)N.BrC1=C(C(=O)[O-])C=CC=C1.[K+]>>IC1=CC=C(C=C1)NC1=C(C(=O)O)C=CC=C1 | 5 |
COC(=O)C1=NC(=NC=C1S)C>>COC(=O)C1=NC(=NC=C1)S(=O)(=O)C | 5 |
C1COCCN1.S(=O)(=O)(C1=CC=C(C)C=C1)OCCC1CN(C1)C(=O)OC(C)(C)C>CC#N.C([O-])([O-])=O.[K+].[K+].[I-].[Na+]>O1CCN(CC1)CCC1CN(C1)C(=O)OC(C)(C)C | 3 |
C(CC)(=O)OC(CC)=O.C(C)C1=C(N)C=CC=C1.NC1=C(C(=O)O)C=C(C(=C1)F)I>c1ccncc1.Cl.P(OC1=CC=CC=C1)(OC1=CC=CC=C1)OC1=CC=CC=C1>C(C)C1=NC2=CC(=C(C=C2C(N1C1=C(C=CC=C1)CC)=O)I)F | 3 |
CC(C(=O)C1=CC=C(C=C1)SC)(C)N1CCOCC1>>CC(C(=O)C1=CC=C(C=C1)S(=O)C)(C)N1CCOCC1 | 5 |
C(C)(=O)C=1C=C(C=CC1)B(O)O.ClC=1C=C(OCC(=O)OC)C=C(C1CC1=CC(=C(C=C1)O)I)Cl>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]>C(C)(=O)C=1C=C(C=CC1)C1=CC(=CC=C1O)CC1=C(C=C(OCC(=O)OC)C=C1Cl)Cl | 3 |
[CH3:1][N:2]1[C:10]2[C:5](=[CH:6][C:7](N)=[CH:8][CH:9]=2)[CH:4]=[CH:3]1.ClC1C=CC(C(Cl)=O)=CN=1.[Cl:22][C:23]1[CH:39]=[CH:38][C:26]([C:27]([NH:29]C2C=CC(I)=C(C)C=2)=[O:28])=[CH:25][N:24]=1>>[Cl:22][C:23]1[CH:39]=[CH:38][C:26]([C:27]([NH:29][C:8]2[CH:9]=[C:10]3[C:5]([CH:4]=[CH:3][N:2]3[CH3:1])=[CH:6][CH:7]=2)=[O:28])=[CH:25][N:24]=1 | 1 |
N1CCC(C(=O)OCC)CC1.ClC1=NC=NC(=C1)Cl>>ClC1=CC(=NC=N1)N1CCC(CC1)C(=O)OCC | 5 |
[CH:1]([NH:4][C:5]1[C:10](/[CH:11]=[CH:12]/[C:13](OCC)=[O:14])=[C:9]([CH3:18])[N:8]=[C:7]([S:19][CH3:20])[N:6]=1)([CH3:3])[CH3:2]>C(O)(=O)C>[CH:1]([N:4]1[C:5]2[N:6]=[C:7]([S:19][CH3:20])[N:8]=[C:9]([CH3:18])[C:10]=2[CH:11]=[CH:12][C:13]1=[O:14])([CH3:3])[CH3:2] | 1 |
Cl[CH2:2][CH2:3][CH2:4][CH2:5][CH:6]1[CH2:10][CH2:9][CH:8]([C:11]2[CH:16]=[CH:15][C:14]([F:17])=[CH:13][CH:12]=2)[N:7]1[S:18]([C:21]1[CH:26]=[CH:25][C:24]([CH3:27])=[CH:23][CH:22]=1)(=[O:20])=[O:19].[NH:28]1[CH:32]=[N:31][N:30]=[N:29]1>>[F:17][C:14]1[CH:15]=[CH:16][C:11]([CH:8]2[N:7]([S:18]([C:21]3[CH:22]=[CH:23][C:24]([CH3:27])=[CH:25][CH:26]=3)(=[O:20])=[O:19])[CH:6]([CH2:5][CH2:4][CH2:3][CH2:2][N:29]3[N:30]=[N:31][CH:32]=[N:28]3)[CH2:10][CH2:9]2)=[CH:12][CH:13]=1 | 1 |
O1CCCC=C1.[Si](C)(C)(C(C)(C)C)N1C(C2(C(CC=3NC=4C=CC=CC4C3C2C1=O)O)C)=O>>[Si](C)(C)(C(C)(C)C)N1C(C2C(CC=3NC=4C=CC=CC4C3C2C1=O)COC1OCCCC1)=O | 5 |
[N+](C1C=CC(C([O:10][C@@:11]([C:18]2[N:19]=[N:20][N:21]([CH2:23][C:24]3[CH:33]=[C:32]4[C:27]([C:28]([C:35]5[CH:40]=[CH:39][CH:38]=[C:37]([F:41])[CH:36]=5)=[CH:29][C:30](=[O:34])[O:31]4)=[CH:26][CH:25]=3)[CH:22]=2)([C:14]([F:17])([F:16])[F:15])[CH2:12][CH3:13])=O)=CC=1)([O-])=O.[OH-].[Li+]>C1COCC1>[F:41][C:37]1[CH:36]=[C:35]([C:28]2[C:27]3[C:32](=[CH:33][C:24]([CH2:23][N:21]4[CH:22]=[C:18]([C@:11]([OH:10])([C:14]([F:16])([F:17])[F:15])[CH2:12][CH3:13])[N:19]=[N:20]4)=[CH:25][CH:26]=3)[O:31][C:30](=[O:34])[CH:29]=2)[CH:40]=[CH:39][CH:38]=1 | 1 |
BrC(CC)Cl.CC=1NC2=CC=C(C=C2C1C)CC=1C=C(C=CC1)C(=O)N1CCN(CC1)CCC1=CC2=CC=C(C=C2C=C1)OC>N(C)(C)C=O.[H-].[Na+]>ClCCCN1C(=C(C2=CC(=CC=C12)CC=1C=C(C=CC1)C(=O)N1CCN(CC1)CCC1=CC2=CC=C(C=C2C=C1)OC)C)C | 3 |
NC1=C(SC=C1C)N(C=O)C(C)C>C1(=CC=CC=C1)C.C([O-])([O-])=O.[Na+].[Na+].P(=O)(Cl)(Cl)Cl>CC1=CSC=2N(C=NC21)C(C)C | 3 |
[Br:1][C:2]1[C:3]2[CH2:4][C@@H:5]3[CH2:14][NH:13][CH2:12][CH2:11][N:6]3[C:7]=2[CH:8]=[CH:9][CH:10]=1.Br[CH2:16][C:17]([O:19][CH3:20])=[O:18].C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[CH3:20][O:19][C:17](=[O:18])[CH2:16][N:13]1[CH2:12][CH2:11][N:6]2[C:7]3[CH:8]=[CH:9][CH:10]=[C:2]([Br:1])[C:3]=3[CH2:4][C@@H:5]2[CH2:14]1 | 1 |
[H-].[Na+].[Cl:3][C:4]1[CH:34]=[CH:33][C:7]([CH2:8][N:9]2[C:17]3[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=3)[C:11]([C:18](=[O:32])[C:19]([NH:21][C:22]3[CH:23]=[C:24]4[C:29](=[CH:30][CH:31]=3)[N:28]=[CH:27][CH:26]=[CH:25]4)=[O:20])=[CH:10]2)=[CH:6][CH:5]=1.Cl[C:36]([O:38][CH3:39])=[O:37].CCCCCCC.C(OCC)(=O)C>C1COCC1.O>[Cl:3][C:4]1[CH:5]=[CH:6][C:7]([CH2:8][N:9]2[C:17]3[C:12](=[CH:13][CH:14]=[CH:15][CH:16]=3)[C:11]([C:18](=[O:32])[C:19]([N:21]([C:22]3[CH:23]=[C:24]4[C:29](=[CH:30][CH:31]=3)[N:28]=[CH:27][CH:26]=[CH:25]4)[C:36](=[O:37])[O:38][CH3:39])=[O:20])=[CH:10]2)=[CH:33][CH:34]=1 | 1 |
Br[C:2]1[CH:7]=[C:6]([C:8]([CH3:11])([CH3:10])[CH3:9])[CH:5]=[C:4]([C:12]([CH3:15])([CH3:14])[CH3:13])[C:3]=1[OH:16].C([Li])CCC.[F:22][C:23]([F:30])([F:29])[C:24](OCC)=[O:25]>C(OCC)C>[F:22][C:23]([F:30])([F:29])[C:24]([C:2]1[CH:7]=[C:6]([C:8]([CH3:11])([CH3:10])[CH3:9])[CH:5]=[C:4]([C:12]([CH3:15])([CH3:14])[CH3:13])[C:3]=1[OH:16])=[O:25] | 2 |
[Cl:1][C:2]1[C:7]([C:8]([F:11])([F:10])[F:9])=[CH:6][C:5]([NH:12][C:13](=O)[C:14]2[CH:19]=[CH:18][N:17]=[CH:16][CH:15]=2)=[C:4]([OH:21])[CH:3]=1.O1CCCC1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OCC)=O)=NC(OCC)=O>C1(C)C=CC=CC=1>[Cl:1][C:2]1[C:7]([C:8]([F:9])([F:10])[F:11])=[CH:6][C:5]2[N:12]=[C:13]([C:14]3[CH:15]=[CH:16][N:17]=[CH:18][CH:19]=3)[O:21][C:4]=2[CH:3]=1 | 1 |
COC=1C=C2C(=CC1)NC1=C2CCN2C(CCC=C12)=O>C1CCCO1.[O-2].[O-2].[Mn+4]>COC=1C=C2C(=CC1)NC1=C2CCN2C(C=CC=C12)=O | 3 |
C(#N)C1=CC=C(CNC(=O)C2=NN(C=3C(N(CCC32)CC3(CC3)S(=O)(=O)C(C=O)(C)C)=O)C)C=C1>C1CCCO1.N.[O-]S(=O)(=S)[O-].[Na+].[Na+]>C(#N)C1=CC=C(CNC(=O)C2=NN(C=3C(N(CCC32)CC3(CC3)S(=O)(=O)C(C)(C)C#N)=O)C)C=C1 | 3 |
ICC(=O)N.C(C)(C)(C)OC(=O)CNC(CN(CCNCC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC1=CC=C(C=C1)NC(=O)OC(C)(C)C>>NC(=O)CN(C(CN(CCN(CC(=O)OC(C)(C)C)CC(=O)N)CC(=O)OC(C)(C)C)CC1=CC=C(C=C1)NC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C | 5 |
Br[C:2]1[CH:3]=[C:4]([N:8]2[C:16]3[CH:15]=[CH:14][C:13]([CH3:17])=[CH:12][C:11]=3[C:10]3[CH2:18][N:19]([CH3:22])[CH2:20][CH2:21][C:9]2=3)[CH:5]=[CH:6][CH:7]=1.[CH3:23][N:24]1[CH:28]=[CH:27][CH:26]=[C:25]1B1OC(C)(C)C(C)(C)O1.C([O-])([O-])=O.[K+].[K+].O>COCCOC.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>[CH3:22][N:19]1[CH2:20][CH2:21][C:9]2[N:8]([C:4]3[CH:5]=[CH:6][CH:7]=[C:2]([C:25]4[N:24]([CH3:23])[CH:28]=[CH:27][CH:26]=4)[CH:3]=3)[C:16]3[CH:15]=[CH:14][C:13]([CH3:17])=[CH:12][C:11]=3[C:10]=2[CH2:18]1 | 1 |
C([Li])CCC.[CH3:6][O:7][CH2:8][CH2:9][N:10]([CH2:14][CH2:15][O:16][CH3:17])[CH2:11][C:12]#[CH:13].[C:18](=[O:20])=[O:19].O>CCCCCC.O1CCCC1.CO>[CH3:6][O:7][CH2:8][CH2:9][N:10]([CH2:14][CH2:15][O:16][CH3:17])[CH2:11][C:12]#[C:13][C:18]([OH:20])=[O:19] | 1 |
BrC1=C(C=CC(=C1)C#N)C.C(C1=CC=CC=C1)OC(=O)N1CC(NCC1)=O>>C(#N)C1=CC=C(C=C1)CN1C(CN(CC1)C(=O)OCC1=CC=CC=C1)=O | 5 |
ClS(=O)(=O)N=C=O.COC1=C(C(C(=O)OC)=CC=C1)O>C1(=CC=C(C=C1)C)C.C2=C(C=CC=C2C)C.C3=CC=CC(=C3C)C>COC(C1=C(C(=CC=C1)OC)OS(=O)(=O)N=C=O)=O | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([NH:19][C:20]2[C:21]3[N:28]([CH2:29][CH2:30][O:31][CH2:32][CH2:33]O)[CH:27]=[CH:26][C:22]=3[N:23]=[CH:24][N:25]=2)[CH:5]=[CH:6][C:7]=1[O:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([C:15]([F:18])([F:17])[F:16])[CH:10]=1.C(N(CC)CC)C.[CH3:42][S:43](Cl)(=O)=O.C(=O)([O-])O.[Na+]>O1CCCC1>[Cl:1][C:2]1[CH:3]=[C:4]([NH:19][C:20]2[C:21]3[N:28]([CH2:29][CH2:30][O:31][CH2:32][CH2:33][S:43][CH3:42])[CH:27]=[CH:26][C:22]=3[N:23]=[CH:24][N:25]=2)[CH:5]=[CH:6][C:7]=1[O:8][C:9]1[CH:14]=[CH:13][CH:12]=[C:11]([C:15]([F:18])([F:17])[F:16])[CH:10]=1 | 1 |
[OH:1][CH2:2][C:3]([CH2:14][OH:15])([C:9]([O:11]CC)=[O:10])[C:4]([O:6]CC)=[O:5].[OH-].[K+].[N+]([O-])(O)=O.[N+]([O-])([O-])=O.[Ag+:26]>O>[OH:1][CH2:2][C:3]([CH2:14][OH:15])([C:9]([O-:11])=[O:10])[C:4]([O-:6])=[O:5].[Ag+2:26] | 2 |
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:31][N:32]([CH:38]1[CH2:40][CH2:39]1)[CH2:33][CH2:34][CH2:35][CH:36]=[CH2:37])[C:10]([N:12]1[CH2:16][C@H:15]([OH:17])[CH2:14][C@H:13]1[C:18]([NH:20][C@:21]1([C:26]([O:28][CH2:29][CH3:30])=[O:27])[CH2:23][C@H:22]1[CH:24]=[CH2:25])=[O:19])=[O:11])=[O:7])([CH3:4])([CH3:3])[CH3:2].N1C=CN=C1.[Si:46](Cl)([C:49]([CH3:52])([CH3:51])[CH3:50])([CH3:48])[CH3:47]>CN(C=O)C>[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:31][N:32]([CH:38]1[CH2:40][CH2:39]1)[CH2:33][CH2:34][CH2:35][CH:36]=[CH2:37])[C:10]([N:12]1[CH2:16][C@H:15]([O:17][Si:46]([C:49]([CH3:52])([CH3:51])[CH3:50])([CH3:48])[CH3:47])[CH2:14][C@H:13]1[C:18]([NH:20][C@:21]1([C:26]([O:28][CH2:29][CH3:30])=[O:27])[CH2:23][C@H:22]1[CH:24]=[CH2:25])=[O:19])=[O:11])=[O:7])([CH3:2])([CH3:3])[CH3:4] | 1 |
OCCC=1N(C=CN1)CCCCC1=CC=C(C=C1)O.ClCC=1N=C(OC1)\C=C\C1=CC=C(C=C1)Cl>N(C)(C)C=O.[H-].[Na+]>ClC1=CC=C(C=C1)/C=C/C=1OC=C(N1)COC1=CC=C(C=C1)CCCCN1C(=NC=C1)CCO | 3 |
[Cl:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[C:4]([Cl:9])[C:3]=1[C@H:10]([O:12][C:13]1[C:14]([NH2:28])=[N:15][CH:16]=[C:17](B2OC(C)(C)C(C)(C)O2)[CH:18]=1)[CH3:11].Br[C:30]1[CH:31]=[N:32][N:33]([CH:35]2[CH2:40][CH2:39][N:38]([CH3:41])[CH2:37][CH2:36]2)[CH:34]=1>>[Cl:1][C:2]1[C:7]([F:8])=[CH:6][CH:5]=[C:4]([Cl:9])[C:3]=1[C@H:10]([O:12][C:13]1[C:14]([NH2:28])=[N:15][CH:16]=[C:17]([C:30]2[CH:31]=[N:32][N:33]([CH:35]3[CH2:40][CH2:39][N:38]([CH3:41])[CH2:37][CH2:36]3)[CH:34]=2)[CH:18]=1)[CH3:11] | 1 |
[NH2:1][C:2]1[CH:3]=[C:4]([C:8]2[N:13]3[N:14]=[CH:15][C:16]([C:17]([C:19]4[S:20][CH:21]=[CH:22][CH:23]=4)=[O:18])=[C:12]3[N:11]=[CH:10][CH:9]=2)[CH:5]=[CH:6][CH:7]=1.[CH2:24]([CH:26]([CH2:29][CH2:30][CH2:31][CH3:32])[CH:27]=O)[CH3:25]>>[CH2:24]([CH:26]([CH2:29][CH2:30][CH2:31][CH3:32])[CH2:27][NH:1][C:2]1[CH:3]=[C:4]([C:8]2[N:13]3[N:14]=[CH:15][C:16]([C:17]([C:19]4[S:20][CH:21]=[CH:22][CH:23]=4)=[O:18])=[C:12]3[N:11]=[CH:10][CH:9]=2)[CH:5]=[CH:6][CH:7]=1)[CH3:25] | 2 |
CC1=C(C=C(C=C1)OCC=C)[N+](=O)[O-]>>CC1=C(N)C=C(C=C1)OCC=C | 5 |
N(=C=S)[Na].CS(=O)(=O)ON=C([C@@H]1OC2(OC1)CCCCC2)Cl.CC1=NC(=CC=C1OC=1C(=NC=C(C1)SC1=NC=CC=C1)N)C>CC#N.c1ccncc1>CC1=NC(=CC=C1OC=1C(=NC=C(C1)SC1=NC=CC=C1)NC1=NC(=NS1)[C@@H]1OC2(OC1)CCCCC2)C | 3 |
FCC#N.C1([C@@H](CCN1)C[C@@H](C(=O)N)NC(=O)OC(C)(C)C)=O>CC#N.O.C1CCCO1.[Pd++].CC#N.CC#N.CC#N.CC#N.F[B-](F)(F)F.F[B-](F)(F)F>C1([C@@H](CCN1)C[C@@H](C#N)NC(=O)OC(C)(C)C)=O | 3 |
[CH3:1][O:2][C:3]([C:5]1[C:10](Cl)=[N:9][C:8]([N:12]2[CH2:17][CH2:16][O:15][CH2:14][CH2:13]2)=[CH:7][N:6]=1)=[O:4].[CH2:18]([Sn](CCCC)(CCCC)C(C)=C)[CH2:19][CH2:20]C>O1CCOCC1.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]([C:5]1[C:10]([C:19]([CH3:20])=[CH2:18])=[N:9][C:8]([N:12]2[CH2:17][CH2:16][O:15][CH2:14][CH2:13]2)=[CH:7][N:6]=1)=[O:4] | 2 |
C(=O)=O.BrC1=CC=C(C=C1)C1(COC1)C>>CC1(COC1)C1=CC=C(C(=O)O)C=C1 | 5 |
C[C:2]([C:6]1[CH:7]=[C:8]([CH2:17]N2N=CN=C2)[CH:9]=[C:10]([C:12]([C:15]#[N:16])(C)C)[CH:11]=1)([C:4]#[N:5])C.BrCC1C=C(C)C=C(CBr)C=1.[C-]#N.[K+]>>[CH3:17][C:8]1[CH:7]=[C:6]([CH2:2][C:4]#[N:5])[CH:11]=[C:10]([CH2:12][C:15]#[N:16])[CH:9]=1 | 2 |
C(C)=O.FC(C(=O)[O-])(F)F.FC1=C(C=C(C=C1)N1C(=NOC1=O)C=1C(=NON1)SCCNC(=O)C1(C[NH2+]C1)O)C(F)(F)F>CO[H].C(#N)[BH3-].[Na+]>C(C)N1CC(C1)(C(=O)NCCSC1=NON=C1C1=NOC(N1C1=CC(=C(C=C1)F)C(F)(F)F)=O)O | 3 |
FC(F)(F)C(OC(=O)C(F)(F)F)=[O:4].C([O:16][CH2:17][N:18]([C:25]1[CH:30]=[CH:29][CH:28]=[C:27]([C:31]([F:34])([F:33])[F:32])[CH:26]=1)[C:19](=[O:24])[CH2:20]S(C)=O)C.C(=O)([O-])O.[Na+]>O1CCCC1.O>[OH:4][CH:20]1[O:16][CH2:17][N:18]([C:25]2[CH:30]=[CH:29][CH:28]=[C:27]([C:31]([F:32])([F:33])[F:34])[CH:26]=2)[C:19]1=[O:24] | 1 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[CH2:7]([N:14]1[C:18](=O)[CH2:17][CH:16]([C:20](OC)=[O:21])[CH2:15]1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.O>C1COCC1>[CH2:7]([N:14]1[CH2:18][CH2:17][CH:16]([CH2:20][OH:21])[CH2:15]1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1 | 1 |
CCCC[N+](CCCC)(CCCC)CCCC.[F-].[Si]([O:26][CH2:27][CH2:28][CH2:29][N:30]1[C:39]2[C:34](=[CH:35][CH:36]=[CH:37][CH:38]=2)[CH2:33][CH:32]([NH:40][C:41]([C:43]2[NH:47][C:46]3[S:48][C:49]([Cl:51])=[CH:50][C:45]=3[CH:44]=2)=[O:42])[C:31]1=[O:52])(C(C)(C)C)(C)C>C1COCC1>[Cl:51][C:49]1[S:48][C:46]2[NH:47][C:43]([C:41]([NH:40][CH:32]3[CH2:33][C:34]4[C:39](=[CH:38][CH:37]=[CH:36][CH:35]=4)[N:30]([CH2:29][CH2:28][CH2:27][OH:26])[C:31]3=[O:52])=[O:42])=[CH:44][C:45]=2[CH:50]=1 | 1 |
ClC(OCC(C)C)=O.CN1CCOCC1.[C:16]([Si:20]([CH3:29])([CH3:28])[O:21][CH2:22][C:23]#[C:24][C:25]([OH:27])=O)([CH3:19])([CH3:18])[CH3:17].[NH2:30][C:31]1[CH:32]=[C:33]2[C:38](=[CH:39][CH:40]=1)[N:37]=[CH:36][C:35]([C:41]#[N:42])=[C:34]2[NH:43][C:44]1[CH:49]=[CH:48][CH:47]=[C:46]([Br:50])[CH:45]=1>O1CCCC1.N1C=CC=CC=1.C(OCC)(=O)C>[Br:50][C:46]1[CH:45]=[C:44]([NH:43][C:34]2[C:33]3[C:38](=[CH:39][CH:40]=[C:31]([NH:30][C:25](=[O:27])[C:24]#[C:23][CH2:22][O:21][Si:20]([C:16]([CH3:17])([CH3:18])[CH3:19])([CH3:29])[CH3:28])[CH:32]=3)[N:37]=[CH:36][C:35]=2[C:41]#[N:42])[CH:49]=[CH:48][CH:47]=1 | 1 |
ClC=1C=C(C=CC1)[C@H](CNCCC1=CC=C(C=C1)S(=O)(=O)C=1C=CC(=C(C(=O)OC)C1)OCCO)O>>ClC=1C=C(C=CC1)[C@H](CNCCC1=CC=C(C=C1)S(=O)(=O)C=1C=CC(=C(C(=O)[O-])C1)OCCO)O.[Na+] | 5 |
[C:1]([O:20][C@@H:21]1[C@@H:25]([CH2:26][OH:27])[O:24][C@@H:23]([N:28]2[CH:35]=[CH:34][C:32]([NH2:33])=[N:31][C:29]2=[O:30])[C@H:22]1[OH:36])(=[O:19])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18].[ClH:37]>C(O)C>[ClH:37].[C:1]([O:20][C@@H:21]1[C@@H:25]([CH2:26][OH:27])[O:24][C@@H:23]([N:28]2[CH:35]=[CH:34][C:32]([NH2:33])=[N:31][C:29]2=[O:30])[C@H:22]1[OH:36])(=[O:19])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH3:18] | 1 |
N1(CCCC2=CC=CC=C12)S(=O)(=O)C=1C=C(C=CC1)N1C(NC=2C=CC=C(C2C1=O)C(=O)O)=O>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC.Cl.C(C)N=C=NCCCN(C)C.OC1=CC=CC=2NN=NC21.C([O-])([O-])=O.[NH4+].[NH4+]>N1(CCCC2=CC=CC=C12)S(=O)(=O)C=1C=C(C=CC1)N1C(NC=2C=CC=C(C2C1=O)C(=O)N)=O | 3 |
FC(C=1C=C(C=C(C1)C(F)(F)F)C(C(=O)N(C)C=1C=NC(=CC1C1=C(C=C(C=C1)F)C)N1[C@H]([C@H]2N(CC1)CCC2)CO[Si](C)(C)C(C)(C)C)(C)C)(F)F>CO[H].Cl>FC(C=1C=C(C=C(C1)C(F)(F)F)C(C(=O)N(C)C=1C=NC(=CC1C1=C(C=C(C=C1)F)C)N1[C@H]([C@H]2N(CC1)CCC2)CO)(C)C)(F)F | 3 |
NC=1C(=NC(=CC1)C=1C=C2C(=NC1)N(C(=N2)C)COCC[Si](C)(C)C)C(=O)OC>>CC1=NC=2C(=NC=C(C2)C=2C=CC=3N=CNC(C3N2)=O)N1COCC[Si](C)(C)C | 5 |
C(C1=CC=CC=C1)OC=1C=C2C=3CCN(C(C3NC2=CC1)C(=O)OC)C>O.C1CCCO1.[OH-].[Na+]>C(C1=CC=CC=C1)OC=1C=C2C=3CCN(C(C3NC2=CC1)C(=O)[O-])C.[Na+] | 3 |
C(C)OC(=O)C=1C=NC(=NC1)Cl.Cl.FC=1C=C(C=CC1F)C1(CCC1)N>O.O1CCOCC1.C(C)(C)N(C(C)C)CC>FC=1C=C(C=CC1F)C1(CCC1)NC1=NC=C(C=N1)C(=O)OCC | 3 |
Cl.COC([C@@H](N)CO)=O.FC1=C(C=CC(=C1)[N+](=O)[O-])N1CCN(CC1)C(C(=O)O)C1=CC=CC=C1>N(C)(C)C=O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>COC(C(CO)NC(C(C1=CC=CC=C1)N1CCN(CC1)C1=C(C=C(C=C1)[N+](=O)[O-])F)=O)=O | 3 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4](I)[C:3]=1[F:9].[CH3:10][S:11]([O-])(=[O:13])=[O:12].[Na+]>CN(C)C(=O)C.[Cu](I)I>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([S:11]([CH3:10])(=[O:13])=[O:12])[C:3]=1[F:9] | 1 |
ClC=1C=C2C(CCOC2=CC1OC1=CC=C(C=C1)C(NCCC1=CC=C(C=C1)SC(F)(F)F)=O)C(=O)O>C1CCCO1.C[O-].[Na+]>ClC=1C=C2C(CCOC2=CC1OC1=CC=C(C=C1)C(NCCC1=CC=C(C=C1)SC(F)(F)F)=O)C(=O)[O-].[Na+] | 3 |
[F:1][C:2]1([F:18])[CH2:6][CH2:5][C@@H:4]([C@@:7]([OH:17])([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[C:8]([OH:10])=[O:9])[CH2:3]1.O[CH2:20][C@@H:21]1[CH2:26][CH2:25][NH:24][C:23](=[S:27])[NH:22]1>>[F:1][C:2]1([F:18])[CH2:6][CH2:5][C@@H:4]([C@@:7]([OH:17])([C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=2)[C:8]([O:10][CH2:20][C@@H:21]2[CH2:26][CH2:25][NH:24][C:23](=[S:27])[NH:22]2)=[O:9])[CH2:3]1 | 1 |
CS([C:5]1[N:10]=[C:9]([C:11]2[CH:12]=[C:13]3[CH:29]=[N:28][NH:27][C:14]3=[N:15][C:16]=2[C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([C:23]([F:26])([F:25])[F:24])[CH:18]=2)[CH:8]=[CH:7][N:6]=1)(=O)=O.[CH3:30][O-:31].[Na+]>CO>[CH3:30][O:31][C:5]1[N:10]=[C:9]([C:11]2[CH:12]=[C:13]3[CH:29]=[N:28][NH:27][C:14]3=[N:15][C:16]=2[C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([C:23]([F:26])([F:25])[F:24])[CH:18]=2)[CH:8]=[CH:7][N:6]=1 | 1 |
C1=NC(=CC2=CC=CC=C12)C1=CC=C(C=C1)O.CC(C)(C)OC(=O)N[C@@H](CCCN=C(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)C(=O)O>>C(=O)(OC(C)(C)C)N[C@@H](CCCNC(N)=N)C(=O)O | 5 |
[CH3:1][O:2][C:3](=[O:26])[C:4]1[CH:9]=[C:8]([O:10][CH:11]2[CH2:15][CH2:14][N:13]([CH3:16])[C:12]2=[O:17])[CH:7]=[C:6]([O:18]CC2C=CC=CC=2)[CH:5]=1>C1COCC1.CO.[Pd]>[OH:18][C:6]1[CH:5]=[C:4]([CH:9]=[C:8]([O:10][CH:11]2[CH2:15][CH2:14][N:13]([CH3:16])[C:12]2=[O:17])[CH:7]=1)[C:3]([O:2][CH3:1])=[O:26] | 1 |
COC(=O)C1=NC2=C(C=NC=C2C=C1)Br>>BrC=1C=NC=C2C=CC(=NC12)CO | 5 |
BrC1=CC=2C3=C(C=NC2C=C1)N(C(N3C=3C(=NN(C3)C(C)C)C)=O)C.C(C)(=O)N(C1=NC=C(C=C1COC(C)=O)B1OC(C(O1)(C)C)(C)C)C(C)=O>N(C)(C)C=O.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].C([O-])([O-])=O.[K+].[K+].[OH-].[Li+]>NC1=C(C=C(C=N1)C1=CC=2C3=C(C=NC2C=C1)N(C(N3C=3C(=NN(C3)C(C)C)C)=O)C)CO | 3 |
C[Si](C)(C)C=[N+]=[N-].C(C)OC(=O)C=1C(=C2C=CC3=C(OCO3)C2=C(C1C(=O)OCC)C1=CC2=C(OCO2)C=C1)O>C1CCCO1.CO[H]>C(C)OC(=O)C=1C(=C2C=CC3=C(OCO3)C2=C(C1C(=O)OCC)C1=CC2=C(OCO2)C=C1)OC | 3 |
CI.BrC1=CC=CC2=NC3=CC(=CC=C3C(=C12)SC=1C=C(C(=O)OC)C=CC1)OC>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].CN(C(C)=O)C.C1CCC2=NCCCN2CC1.C1(=CC=CC=C1)P(C1=C(C=CC=C1)C1=C(C=CC=C1)N(C)C)C1=CC=CC=C1>[Cl-].COC=1C=CC2=C3C4=C(C=CC=C4[N+](=C2C1)C)C=1C=CC(=CC1S3)C(=O)OC | 3 |
C(C)(C)(C)C1=NOC(=N1)C(=O)O.NC1CCCCC2=C1C=CC(=C2)C2=NC(=NC=C2)NC=2C=NN(C2)C>N(C)(C)C=O.CO[H].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(C)(C)(C)C1=NOC(=N1)C(=O)NC1CCCCC2=C1C=CC(=C2)C2=NC(=NC=C2)NC=2C=NN(C2)C | 3 |
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