smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(C)OC1=C(C=C(C=C1)S(=O)(=O)N1CCN(CC1)C)C=O.NC=1C(=NN(C1C(=O)N)C)CCC>>C(C)OC1=C(C=C(C=C1)S(=O)(=O)N1CCN(CC1)C)C=1NC(C2=C(N1)C(=NN2C)CCC)=O | 5 |
C(C)C(CC)(C1=CC(=C(C=C1)C#CC1(CCCC1)O)C)C1=CC(=C(C=C1)O)C>>C(C)C(CC)(C1=CC(=C(C=C1)\C=C\C1(CCCC1)O)C)C1=CC(=C(C=C1)O)C | 5 |
[C:1]([O:5][C:6](=[O:19])[NH:7][C:8]1[CH:13]=[C:12](Cl)[C:11]([CH3:15])=[CH:10][C:9]=1[N+:16]([O-:18])=[O:17])([CH3:4])([CH3:3])[CH3:2].[NH:20]1[CH2:24][CH2:23][CH2:22][CH2:21]1>CS(C)=O>[C:1]([O:5][C:6](=[O:19])[NH:7][C:8]1[CH:13]=[C:12]([N:20]2[CH2:24][CH2:23][CH2:22][CH2:21]2)[C:11]([CH3:15])=[CH:10][C:9]=1[N+:16]([O-:18])=[O:17])([CH3:4])([CH3:3])[CH3:2] | 1 |
Cl.C12CNCC(CC1)O2>>ClC1=NC(=NC(=N1)Cl)N1CC2CCC(C1)O2 | 5 |
CC[Mg+].[Br-].C(#N)C1=NC=CC=C1>C1CCCO1.C(C)OCC.OC(=O)CC(O)(CC(O)=O)C(O)=O>C(CC)(=O)C1=NC=CC=C1 | 3 |
CC(C)=CCCC(C)CCO>[HH]>C[C@@H]1CC[C@H](C(=O)C1)C(C)C | 3 |
[N+](=O)([O-])C1=CC2=C(CCO2)C=C1NC(C)=O>CCO[H].Cl>[N+](=O)([O-])C1=CC2=C(CCO2)C=C1N | 3 |
C1=CC=CC=2CN(CC3=C(C21)C=CC=C3)C#N>CO[H].[Na].C[O-].[Na+]>C1=CC=CC=2CN(CC3=C(C21)C=CC=C3)C(OC)=N | 3 |
BrC1=NN2C(N=C(C=C2N2CCOCC2)Cl)=C1.C1(=CC(=CC=C1)C=1C=NNC1)C>N(C)(C)C=O.C(=O)([O-])[O-].[Cs+].[Cs+].[Cu]O[Cu]>BrC1=NN2C(N=C(C=C2N2CCOCC2)N2N=CC(=C2)C=2C=C(C=CC2)C)=C1 | 3 |
CS(=O)(=O)Cl.N1N=C(C2=CC=CC=C12)C(=O)O>C1CCCO1.CCN(CC)CC>CS(=O)(=O)N1N=C(C2=CC=CC=C12)C(=O)O | 3 |
CC1=CC=C2CCC(C2=C1)=O>CCO[H].Cl.N(=O)OCCC(C)C>CC1=CC=C2CC(C(C2=C1)=O)=NO | 3 |
C(C)(C)(C)O.C=1(C(=CC=CC1)N)C1=CC=CC=C1.BrC1=CC(=C(C=C1)S(=O)(=O)NC=1SC=CN1)F>[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.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.CC(C)(C)[O-].[Na+]>C1(=C(C=CC=C1)NC1=CC(=C(C=C1)S(=O)(=O)NC=1SC=CN1)F)C1=CC=CC=C1 | 3 |
C1(CCCCC1)C(C=O)OC(C)=O.NN1C(N(C2C1CC(C2)O)CCC)=O>CO[H].C(C)(=O)[O-].[Na+]>OC1CC2C(N(C(N2CCC)=O)N=CC(OC(C)=O)C2CCCCC2)C1 | 3 |
FC1=C(C=CC(=C1)F)N=C=S.OCC1(C(C2=C(SCC1)C=CC=C2)=O)CO>>OCC1(C(C2=C(SCC1)C=CC=C2)=O)COC(NC2=C(C=C(C=C2)F)F)=S | 5 |
[CH2:1]([O:8][C:9]1[CH:14]=[C:13]([O:15][CH2:16][CH3:17])[C:12](I)=[CH:11][N:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH2:19]([O:26][CH2:27][CH2:28][O:29][C:30]1[CH:35]=[CH:34][C:33]([NH:36][C:37](=[O:55])[CH2:38][C:39]2[CH:44]=[CH:43][C:42](B3OC(C)(C)C(C)(C)O3)=[CH:41][C:40]=2[F:54])=[CH:32][C:31]=1[C:56]([F:59])([F:58])[F:57])[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1.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]>[CH2:1]([O:8][C:9]1[N:10]=[CH:11][C:12]([C:42]2[CH:43]=[CH:44][C:39]([CH2:38][C:37]([NH:36][C:33]3[CH:34]=[CH:35][C:30]([O:29][CH2:28][CH2:27][O:26][CH2:19][C:20]4[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=4)=[C:31]([C:56]([F:57])([F:59])[F:58])[CH:32]=3)=[O:55])=[C:40]([F:54])[CH:41]=2)=[C:13]([O:15][CH2:16][CH3:17])[CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
B(C1=CC2=CC=CC=C2N1)(O)O.NC=1C(=NC(=CN1)Br)C(=O)C=1C=NC=CC1>>NC=1C(=NC(=CN1)C=1C=C2C=CNC2=CC1)C(=O)C=1C=NC=CC1 | 5 |
[Cl:1][C:2]1[CH:16]=[CH:15][C:5]([CH2:6][O:7][C:8]2[N:13]=[CH:12][NH:11][C:10](=[O:14])[CH:9]=2)=[CH:4][CH:3]=1.[CH:17]1([C:20]2[N:21]=[C:22]3[CH:27]=[CH:26][C:25](B(O)O)=[CH:24][N:23]3[C:31]=2[CH3:32])[CH2:19][CH2:18]1.C(Cl)Cl.CO>C([O-])(=O)C.[Cu+2].C([O-])(=O)C.N1C=CC=CC=1>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:6][O:7][C:8]2[N:13]=[CH:12][N:11]([C:25]3[CH:26]=[CH:27][C:22]4[N:23]([C:31]([CH3:32])=[C:20]([CH:17]5[CH2:19][CH2:18]5)[N:21]=4)[CH:24]=3)[C:10](=[O:14])[CH:9]=2)=[CH:15][CH:16]=1 | 1 |
[NH2:1][CH2:2][CH:3]1[CH2:9][CH2:8][C:7]2=[C:10]([NH2:14])[CH:11]=[CH:12][CH:13]=[C:6]2[CH2:5][CH2:4]1.[NH2:15]CC1CCC2C=C(N)C=CC=2CC1.CN(C(ON1N=NC2C1=CC=CC=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.ON1C2C=CC=CC=2N=N1.C(N(C(C)C)CC)(C)C.[C:72]([C:74]1[CH:75]=[C:76]([CH:92]([CH3:94])[CH3:93])[C:77]2[O:81][C:80]([C:82]3[CH:90]=[CH:89][C:85]([C:86](O)=[O:87])=[CH:84][CH:83]=3)=[N:79][C:78]=2[CH:91]=1)#[N:73].ClCCl>>[NH2:14][C:10]1[C:7]2[CH2:8][CH2:9][CH:3]([CH2:2][NH:1][C:86](=[O:87])[C:85]3[CH:84]=[CH:83][C:82]([C:80]4[O:81][C:77]5[C:76]([CH:92]([CH3:94])[CH3:93])=[CH:75][C:74]([C:72]#[N:73])=[CH:91][C:78]=5[N:79]=4)=[CH:90][CH:89]=3)[CH2:4][CH2:5][C:6]=2[CH:13]=[CH:12][CH:11]=1.[NH2:15][C:12]1[CH:11]=[CH:10][C:7]2[CH2:8][CH2:9][CH:3]([CH2:2][NH2:1])[CH2:4][CH2:5][C:6]=2[CH:13]=1 | 1 |
NC1=NC=C(C=C1)C>IN1C(CCC1=O)=O.FC(S(=O)(=O)O)(F)F>IC=1C(=NC=C(C1)C)N | 3 |
ClC(=O)OCC1=CC=CC=C1.N[C@@H](CC(N)=O)C(=O)O>>C(C1=CC=CC=C1)OC(=O)N[C@@H](CC(N)=O)C(=O)O | 3 |
[CH:1]1([NH:4][CH:5]2[CH2:10][CH2:9][N:8]([C:11]3[CH:16]=[N:15][C:14]([CH3:17])=[CH:13][N:12]=3)[CH2:7][CH2:6]2)[CH2:3][CH2:2]1.[F:18][C:19]1[CH:20]=[C:21]([CH:25]=[CH:26][C:27]=1[C:28]1[O:32][CH:31]=[N:30][CH:29]=1)[C:22](O)=[O:23]>>[CH:1]1([N:4]([CH:5]2[CH2:10][CH2:9][N:8]([C:11]3[CH:16]=[N:15][C:14]([CH3:17])=[CH:13][N:12]=3)[CH2:7][CH2:6]2)[C:22](=[O:23])[C:21]2[CH:25]=[CH:26][C:27]([C:28]3[O:32][CH:31]=[N:30][CH:29]=3)=[C:19]([F:18])[CH:20]=2)[CH2:2][CH2:3]1 | 1 |
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([C@@H:9]([O:12][CH:13]2[CH2:18][CH2:17][CH2:16][CH2:15][O:14]2)[CH2:10][OH:11])=[CH:5][CH:4]=1)#[CH:2].Br[CH2:20][CH2:21][CH2:22][O:23][CH:24]1[CH2:29][CH2:28][CH2:27][CH2:26][O:25]1.[OH-].[K+].Cl>O.C1(C)C=CC=CC=1.CS(C)=O>[C:1]([C:3]1[CH:4]=[CH:5][C:6]([C@@H:9]([O:12][CH:13]2[CH2:18][CH2:17][CH2:16][CH2:15][O:14]2)[CH2:10][O:11][CH2:20][CH2:21][CH2:22][O:23][CH:24]2[CH2:29][CH2:28][CH2:27][CH2:26][O:25]2)=[CH:7][CH:8]=1)#[CH:2] | 2 |
[Cl:1][C:2]1[N:7]=[C:6]([NH2:8])[N:5]=[C:4]([NH2:9])[CH:3]=1.[CH3:10][O:11][C:12](N1C=CN=C1)=[O:13]>O1CCCC1.CCOCC>[NH2:8][C:6]1[N:5]=[C:4]([NH:9][C:12]([O:11][CH3:10])=[O:13])[CH:3]=[C:2]([Cl:1])[N:7]=1 | 1 |
NC1=NC=CC2=C1C(=NN2[C@H]2C[C@@H](N(C2)C(=O)OC(C)(C)C)COC)C#CC2=CC1=C(N(C=N1)CC)C=C2>Cl.C(C)(=O)OCC>Cl.C(C)N1C=NC2=C1C=CC(=C2)C#CC2=NN(C1=C2C(=NC=C1)N)[C@@H]1CN[C@H](C1)COC | 3 |
ClC1=C(C=C2C(=NNC(C2=C1)=O)C)O.C(C1=CC=CC=C1)OCCCCCCCO>C1(=CC=CC=C1)C.C(#N)C=P(CCCC)(CCCC)CCCC>C(C1=CC=CC=C1)OCCCCCCCOC=1C=C2C(=NN=C(C2=CC1Cl)O)C | 3 |
FC=1C=C2C(=NC1)NC(=C2)C2=CC=C(C=C2)F>N(C)(C)C=O.BrBr.[O-]S(=O)(=S)[O-].[Na+].[Na+]>BrC1=C(NC2=NC=C(C=C21)F)C2=CC=C(C=C2)F | 3 |
[CH3:1][O:2][C:3](=[O:33])[CH2:4][CH2:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]2[CH:17]=[CH:16][C:15]([CH2:18][CH:19]([NH:25]C(OC(C)(C)C)=O)[C:20](=[O:24])[N:21]([CH3:23])[CH3:22])=[CH:14][CH:13]=2)=[CH:8][CH:7]=1.C(Cl)[Cl:35]>>[ClH:35].[CH3:1][O:2][C:3](=[O:33])[CH2:4][CH2:5][C:6]1[CH:7]=[CH:8][C:9]([C:12]2[CH:17]=[CH:16][C:15]([CH2:18][CH:19]([NH2:25])[C:20](=[O:24])[N:21]([CH3:22])[CH3:23])=[CH:14][CH:13]=2)=[CH:10][CH:11]=1 | 1 |
[CH2:1]([NH:8][CH:9]1[CH2:14][CH2:13][CH2:12][CH2:11][CH2:10]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH:15]1[C:27]2[CH:26]([CH2:28][O:29][C:30]([NH:32][C@@H:33]([CH2:37][C:38]3[C:46]4[C:41](=[CH:42][CH:43]=[CH:44][CH:45]=4)[NH:40][CH:39]=3)[C:34](O)=[O:35])=[O:31])[C:25]3[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=3)[C:19]=2[CH:18]=[CH:17][CH:16]=1.C1C2C(COC(=O)N[C@H](C(=O)NC3C=CC(C)=CC=3)CCCCNC(OC(C)(C)C)=O)C3C(=CC=CC=3)C=2C=CC=1>>[CH:24]1[C:25]2[CH:26]([CH2:28][O:29][C:30](=[O:31])[NH:32][C@H:33]([C:34](=[O:35])[N:8]([CH2:1][C:2]3[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=3)[CH:9]3[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]3)[CH2:37][C:38]3[C:46]4[C:41](=[CH:42][CH:43]=[CH:44][CH:45]=4)[NH:40][CH:39]=3)[C:27]3[C:19](=[CH:18][CH:17]=[CH:16][CH:15]=3)[C:20]=2[CH:21]=[CH:22][CH:23]=1 | 2 |
O.[SH-].[Na+].CC1(CC(=NO1)S(=O)(=O)C)C.BrCC=1C(=NOC1C)C(F)(F)F>>CC1(CC(=NO1)SCC=1C(=NOC1C)C(F)(F)F)C | 5 |
C(C)OC(=C)[Sn](CCCC)(CCCC)CCCC.ClC1=NC=CC2=C1C=CN2>CN1C(CCC1)=O.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>N1C=CC=2C(=NC=CC21)C(C)=O | 3 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][C:10]([OH:12])=O)=[CH:4][CH:3]=1.Cl.[CH2:14]([O:16][C:17](=[O:20])[CH2:18][NH2:19])[CH3:15].C1N=CN(C(N2C=NC=C2)=O)C=1>CCN(CC)CC>[CH2:14]([O:16][C:17](=[O:20])[CH2:18][NH:19][C:10](=[O:12])[CH2:9][CH2:8][C:5]1[CH:4]=[CH:3][C:2]([OH:1])=[CH:7][CH:6]=1)[CH3:15] | 1 |
[CH2:1]([O:3][C:4]([C:6]1[O:7][C:8]2[C:15]([Cl:16])=[CH:14][C:13]([Cl:17])=[C:12]([OH:18])[C:9]=2[C:10]=1[CH3:11])=[O:5])[CH3:2].IC.[C:21]([O-])([O-])=O.[K+].[K+]>CN(C=O)C>[CH2:1]([O:3][C:4]([C:6]1[O:7][C:8]2[C:15]([Cl:16])=[CH:14][C:13]([Cl:17])=[C:12]([O:18][CH3:21])[C:9]=2[C:10]=1[CH3:11])=[O:5])[CH3:2] | 1 |
BrC=1C=CC=2N(C3=CC=C(C=C3C2C1)Br)CC(=O)OCC>>BrC=1C=CC=2N(C3=CC=C(C=C3C2C1)Br)CC(=O)O | 5 |
ClC=1C(=NC=CC1Cl)C(=O)N.OC=1C=CC(=NC1)NC(=O)C=1C(N(N2C1CCCC2)C2=CC=CC=C2)=O>>C(N)(=O)C1=NC=CC(=C1Cl)OC=1C=CC(=NC1)NC(=O)C=1C(N(N2C1CCCC2)C2=CC=CC=C2)=O | 5 |
C1(=C(C(=CC(=C1)C)C)C=C(C#N)C#N)C.N1N=C(C2=C1CSC2)N>>NC1=C(C(=NC=2N1N=C1C2CSC1)C1=C(C=C(C=C1C)C)C)C#N | 5 |
CC1=C(N)C(=CC(=C1)C)C.C(C)N(C1=CC=CC(=N1)C=O)CC>C=O.CCO[H].Cl>[Cl-].C(C)N(C1=CC=CC=2N1C=[N+](C2)C2=C(C=C(C=C2C)C)C)CC | 3 |
N1CCC1.BrC=1C=NC(=NC1)Cl>>N1(CCC1)C1=NC=C(C=N1)Br | 5 |
BrCC1CC1.BrC=1C=C(C=C(C1O)S(N(C)C)(=O)=O)C(C(=O)OCC)CC(C)C>C([O-])([O-])=O.[K+].[K+].CS(=O)C>BrC=1C=C(C=C(C1OCC1CC1)S(N(C)C)(=O)=O)C(C(=O)OCC)CC(C)C | 3 |
[CH2:1]([O:3][C:4](=[O:30])[CH:5]([N:7]1[CH2:12][CH2:11][CH2:10][C:9](NC(OC(C)(C)C)=O)([NH:13]C(OC(C)(C)C)=O)[C:8]1=[O:29])[CH3:6])[CH3:2].C(OC(=O)NC1CCCN(CC2NC(C3C=CC(C4C=CC(C5NC(C6CCCN6C(=O)C(NC(OC)=O)C(C)C)=NC=5)=CC=4)=CC=3)=CN=2)C1=O)(C)(C)C>>[CH2:1]([O:3][C:4](=[O:30])[CH:5]([N:7]1[CH2:12][CH2:11][CH2:10][CH:9]([NH2:13])[C:8]1=[O:29])[CH3:6])[CH3:2] | 1 |
[Cl:1]C1C=C2C(C=CN2)=CC=1.C(O[C:15]1[CH:16]=[C:17]2[C:21](=[CH:22][CH:23]=1)[N:20]([C:24]([NH2:26])=[O:25])[CH:19]=[C:18]2[N:27]=[C:28]=[O:29])C=C>>[Cl:1][C:23]1[CH:22]=[C:21]2[C:17]([C:18]([N:27]=[C:28]=[O:29])=[CH:19][N:20]2[C:24]([NH2:26])=[O:25])=[CH:16][CH:15]=1 | 1 |
ClC(=O)OC(C)Cl.C(C1=CC=CC=C1)N1CC(CC1)(C(F)(F)F)C1=CC(=C(C(=C1)Cl)Cl)Cl>>ClC=1C=C(C=C(C1Cl)Cl)C1(CNCC1)C(F)(F)F | 5 |
COC(C(=C)C)=O.OCCN1C(CCC1)=O>>C(C(=C)C)(=O)O.OCCN1C(CCC1)=O | 5 |
[Cl:1][C:2]1[C:10](F)=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[C:4]([F:12])[CH:3]=1.[CH3:13][OH:14].[H-].[Na+].Cl>CN(C=O)C>[Cl:1][C:2]1[C:10]([O:14][CH3:13])=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[C:4]([F:12])[CH:3]=1 | 2 |
C(O[CH2:5][C@@H:6]([C@@H:12]1[CH2:16][O:15][C:14]([C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([O:23]C(=O)C)[C:18]=2[CH3:27])=[N:13]1)[O:7]S(C)(=O)=O)(=O)C.CO.[C:30]([NH:34][C:35]([C@@H:37]1[CH2:46][C@H:45]2[C@H:40]([CH2:41][CH2:42][CH2:43][CH2:44]2)[CH2:39][NH:38]1)=[O:36])([CH3:33])([CH3:32])[CH3:31].C(=O)([O-])[O-].[K+].[K+]>O>[C:30]([NH:34][C:35]([C@@H:37]1[CH2:46][C@H:45]2[C@H:40]([CH2:41][CH2:42][CH2:43][CH2:44]2)[CH2:39][N:38]1[CH2:5][C@H:6]([C@@H:12]1[CH2:16][O:15][C:14]([C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([OH:23])[C:18]=2[CH3:27])=[N:13]1)[OH:7])=[O:36])([CH3:33])([CH3:31])[CH3:32] | 1 |
[F:1][C:2]1[CH:3]=[C:4]([OH:11])[CH:5]=[CH:6][C:7]=1[N+:8]([O-:10])=[O:9].Cl.[CH3:13][N:14]([CH3:18])[CH2:15][CH2:16]Cl.C(=O)([O-])[O-].[K+].[K+]>CC(=O)CC>[F:1][C:2]1[CH:3]=[C:4]([CH:5]=[CH:6][C:7]=1[N+:8]([O-:10])=[O:9])[O:11][CH2:16][CH2:15][N:14]([CH3:18])[CH3:13] | 1 |
C(C)(C)(C)OC(C1=C(C=C(C=C1)C1=CC=CC=C1)NC(C1=C(C=CC(=C1)N1CCOCC1)OCC1=CC=CC=C1)=O)=O>>OC1=C(C(=O)NC2=C(C(=O)OC(C)(C)C)C=CC(=C2)C2=CC=CC=C2)C=C(C=C1)N1CCOCC1 | 5 |
Br[CH:2]([C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[C:3]1[CH:8]=[CH:7][C:6]([Cl:9])=[CH:5][CH:4]=1.[NH:16]1[CH2:19][CH:18]([CH:20]([C:25]2[CH:30]=[C:29]([F:31])[CH:28]=[C:27]([F:32])[CH:26]=2)[C:21]([O:23][CH3:24])=[O:22])[CH2:17]1.C(N(C(C)C)CC)(C)C>C(#N)C>[CH3:24][O:23][C:21](=[O:22])[C:20](=[C:18]1[CH2:17][N:16]([CH:2]([C:3]2[CH:8]=[CH:7][C:6]([Cl:9])=[CH:5][CH:4]=2)[C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[CH2:19]1)[C:25]1[CH:26]=[C:27]([F:32])[CH:28]=[C:29]([F:31])[CH:30]=1 | 1 |
[CH3:1][C:2]1([CH3:18])[C:14]2[CH:13]=[C:12](B(O)O)[CH:11]=[CH:10][C:9]=2[C:8]2[C:3]1=[CH:4][CH:5]=[CH:6][CH:7]=2.Br[C:20]1[CH:21]=[C:22]([C:27]2[N:32]=[C:31]([C:33]3[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=3)[CH:30]=[C:29]([C:39]3[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=3)[N:28]=2)[CH:23]=[C:24](Br)[CH:25]=1.C([O-])([O-])=O.[K+].[K+].[N:51]1[CH:56]=[CH:55][CH:54]=[CH:53][C:52]=1[C:57]1[CH:62]=[CH:61][C:60](B(O)O)=[CH:59][CH:58]=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.C(O)C.C1(C)C=CC=CC=1>[CH3:1][C:2]1([CH3:18])[C:14]2[CH:13]=[C:12]([C:20]3[CH:21]=[C:22]([C:27]4[N:32]=[C:31]([C:33]5[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=5)[CH:30]=[C:29]([C:39]5[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=5)[N:28]=4)[CH:23]=[C:24]([C:60]4[CH:59]=[CH:58][C:57]([C:52]5[CH:53]=[CH:54][CH:55]=[CH:56][N:51]=5)=[CH:62][CH:61]=4)[CH:25]=3)[CH:11]=[CH:10][C:9]=2[C:8]2[C:3]1=[CH:4][CH:5]=[CH:6][CH:7]=2 | 1 |
CC(CCCC(OC1OCCCC1)P(OCC)(OCC)=O)C>CCO[H].C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>OCCCCC(C)(C)P(OCC)(OCC)=O | 3 |
CC1(OCC(O1)CO)C.CC=1C=C(C#N)C=C(C1O)C>C1(=CC=CC=C1)C.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>CC1(OCC(O1)COC1=C(C=C(C#N)C=C1C)C)C | 3 |
C1(CC1)C#CC=1N(N=C2C=CC(=CC12)C1=CC=CC=C1)C(C(=O)OC)CC1=CC=CC=C1>CO[H].Cl.[OH-].[K+].Cl.NO>C1(CC1)C#CC=1N(N=C2C=CC(=CC12)C1=CC=CC=C1)C(C(=O)NO)CC1=CC=CC=C1 | 3 |
[OH:1][C@H:2]1[CH2:7][CH2:6][C@H:5]([CH2:8][NH:9][C:10](=[O:21])[C:11]2[CH:16]=[CH:15][C:14]([O:17][CH2:18][O:19][CH3:20])=[CH:13][CH:12]=2)[CH2:4][CH2:3]1.[CH3:22][O:23][C:24]1[CH:29]=[CH:28][C:27](O)=[CH:26][CH:25]=1.C(C=P(CCCC)(CCCC)CCCC)#N>C1C=CC=CC=1>[CH3:20][O:19][CH2:18][O:17][C:14]1[CH:13]=[CH:12][C:11]([C:10]([NH:9][CH2:8][C@H:5]2[CH2:6][CH2:7][C@@H:2]([O:1][C:27]3[CH:28]=[CH:29][C:24]([O:23][CH3:22])=[CH:25][CH:26]=3)[CH2:3][CH2:4]2)=[O:21])=[CH:16][CH:15]=1 | 2 |
O1C=C(C=C1)C1=CC=C(C=O)C=C1>>FC(C(O)C1=CC=C(C=C1)C1=COC=C1)(F)F | 5 |
COC(C1=CC(=C(C=C1)CN(C1C(NCCC(C1)C(F)(F)F)=O)S(=O)(=O)C1=CC=C(C=C1)Cl)F)=O>>ClC1=CC=C(C=C1)S(=O)(=O)N(C1C(NCCC(C1)C(F)(F)F)=O)CC1=C(C=C(C=C1)CO)F | 5 |
O([K])C#N.[C@H](C)(CC)[C@@H]1NC(C2=C(NC1=O)C=CC=C2)C>CO[H].C(C)(=O)O>[C@H](C)(CC)[C@@H]1N(C(C2=C(NC1=O)C=CC=C2)C)C(=O)N | 3 |
[C:1]([NH:4][C:5]1[CH:35]=[CH:34][C:8]([C:9]([NH:11][C:12]2[CH:17]=[C:16]([CH2:18][CH2:19][C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)[CH:15]=[CH:14][C:13]=2[NH:26]C(=O)OC(C)(C)C)=[O:10])=[CH:7][CH:6]=1)(=[O:3])[CH3:2].C(O)(C(F)(F)F)=O>C(Cl)Cl>[C:1]([NH:4][C:5]1[CH:35]=[CH:34][C:8]([C:9]([NH:11][C:12]2[CH:17]=[C:16]([CH2:18][CH2:19][C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)[CH:15]=[CH:14][C:13]=2[NH2:26])=[O:10])=[CH:7][CH:6]=1)(=[O:3])[CH3:2] | 2 |
[NH2:1][C:2]1[C:7]([C:8]#[N:9])=[C:6]([C:10]2[CH:15]=[CH:14][C:13]([O:16][CH2:17][C@H:18]3[CH2:22][O:21]C(C)(C)[O:19]3)=[CH:12][CH:11]=2)[C:5]([C:25]#[N:26])=[C:4]([S:27][CH2:28][C:29]2[N:30]=[C:31]([C:34]3[CH:39]=[CH:38][C:37]([Cl:40])=[CH:36][CH:35]=3)[O:32][CH:33]=2)[N:3]=1.Cl>C(O)C>[NH2:1][C:2]1[C:7]([C:8]#[N:9])=[C:6]([C:10]2[CH:11]=[CH:12][C:13]([O:16][CH2:17][C@H:18]([OH:19])[CH2:22][OH:21])=[CH:14][CH:15]=2)[C:5]([C:25]#[N:26])=[C:4]([S:27][CH2:28][C:29]2[N:30]=[C:31]([C:34]3[CH:35]=[CH:36][C:37]([Cl:40])=[CH:38][CH:39]=3)[O:32][CH:33]=2)[N:3]=1 | 1 |
Br[C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4]([F:10])[CH:3]=1.[CH2:11]([Sn](CCCC)(CCCC)CCCC)[CH:12]=[CH2:13].[Li+].[Cl-]>C1(C)C=CC=CC=1>[CH2:13]([C:2]1[CH:9]=[CH:8][C:5]([C:6]#[N:7])=[C:4]([F:10])[CH:3]=1)[CH:12]=[CH2:11] | 1 |
[N-]=[N+]=C.FC1=C(C=CC(=C1)OC)/C=C/C(=O)OCC>C1CCCO1.[Pd+2].[O-]C(=O)C.[O-]C(=O)C>C(C)OC(=O)C1C(C1)C1=C(C=C(C=C1)OC)F | 3 |
ClC=1C=C(C=CC1Cl)SCC=1C=C(C=CC1)C1=C(N(N=N1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C#N>>ClC=1C=C(C=CC1Cl)S(=O)(=O)CC=1C=C(C=CC1)C1=C(NN=N1)C#N | 5 |
ClCCOC=1C=C(C(=O)O)C=C(C1OC)OC.C(C)(C)(C)OC(NC1=CC(=C(C(=C1)OC)OC)OCCCl)=O>CCN(CC)CC.C(C)(C)(C)O.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>C(C)(C)(C)OC(NC1=CC(=C(C(=C1)OC)OC)OCCCl)=O | 3 |
[H-].[Na+].Cl[C:4]1[N:5]([C:17]2[CH:22]=[CH:21][C:20]([Cl:23])=[CH:19][CH:18]=2)[N:6]=[C:7]2[C:16]3[CH2:15][CH2:14][CH2:13][CH2:12][C:11]=3[N:10]=[CH:9][C:8]=12.[CH2:24]1[CH2:28][O:27][CH2:26][CH2:25]1>>[Cl:23][C:20]1[CH:19]=[CH:18][CH:28]=[CH:24][C:25]=1[CH2:26][O:27][C:4]1[N:5]([C:17]2[CH:22]=[CH:21][C:20]([Cl:23])=[CH:19][CH:18]=2)[N:6]=[C:7]2[C:16]3[CH2:15][CH2:14][CH2:13][CH2:12][C:11]=3[N:10]=[CH:9][C:8]=12 | 2 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N1(N=CC=C1)C[C@H](N)C(=O)O>CO[H].CCN(CC)CC>CC(C)(C)OC(=O)N[C@@H](CN1C=CC=N1)C(=O)O | 3 |
NC1CCOCC1.ClC1=NC=C(C(=N1)C=1C=C2C(=NC1)CN(C2=O)CC(=O)N[C@H](C)C2=NC(=CC=C2)OC)Cl>CCO[H].O1CCOCC1.C(C)(C)N(C(C)C)CC>ClC=1C(=NC(=NC1)NC1CCOCC1)C=1C=C2C(=NC1)CN(C2=O)CC(=O)N[C@H](C)C2=NC(=CC=C2)OC | 3 |
O1N=C(C2=C1C=CC=C2)NC(=O)N2CCN(CC2)C2=NC(=NS2)N2CCC(CC2)C(=O)NCCNC(OC(C)(C)C)=O>C1CCCO1.CO[H].Cl>Cl.Cl.NCCNC(=O)C1CCN(CC1)C1=NSC(=N1)N1CCN(CC1)C(=O)NC1=NOC2=C1C=CC=C2 | 3 |
CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC1=2.Cl[C:44]1[CH:45]=[CH:46][C:47]2[CH2:48][N:49]([CH3:60])[CH2:50][CH:51]([CH2:55][C:56]([F:59])([F:58])[F:57])[O:52][C:53]=2[N:54]=1.[CH3:61][O:62][C:63]1[N:68]=[C:67]([NH2:69])[CH:66]=[CH:65][C:64]=1[C:70]1[CH:75]=[C:74]([CH3:76])[N:73]=[CH:72][N:71]=1.C(=O)([O-])[O-].[Cs+].[Cs+]>O1CCOCC1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[CH3:61][O:62][C:63]1[N:68]=[C:67]([NH:69][C:44]2[CH:45]=[CH:46][C:47]3[CH2:48][N:49]([CH3:60])[CH2:50][CH:51]([CH2:55][C:56]([F:59])([F:58])[F:57])[O:52][C:53]=3[N:54]=2)[CH:66]=[CH:65][C:64]=1[C:70]1[CH:75]=[C:74]([CH3:76])[N:73]=[CH:72][N:71]=1 | 2 |
[N+:1]([O-:4])([OH:3])=[O:2].C1(N)C=CC([NH2:11])=CC=1>[Cl-].C([N+](CCCC)(CCCC)CCCC)CCC>[N+:1]([O-:4])([O-:3])=[O:2].[OH:2][NH3+:1].[N+:1]([O-:4])([OH:3])=[O:2].[N+:1]([O-:4])([O-:3])=[O:2].[NH4+:11] | 1 |
[NH:1](C(OCC1C=CC=CC=1)=O)[C@H:2]([C:6]([NH:8][C@H:9]([C:17]([OH:19])=[O:18])[CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)=[O:7])[CH:3]([CH3:5])[CH3:4].[N:30]1([NH-:36])[CH2:35][CH2:34][O:33][CH2:32][CH2:31]1>CO.[Pd]>[NH2:1][C@H:2]([C:6]([NH:8][C@H:9]([C:17]([OH:19])=[O:18])[CH2:10][C:11]1[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=1)=[O:7])[CH:3]([CH3:5])[CH3:4].[N:30]1([NH-:36])[CH2:35][CH2:34][O:33][CH2:32][CH2:31]1 | 1 |
[C:1]([NH:4][C:5]1[CH:6]=[C:7]2[C:12](=[CH:13][CH:14]=1)[O:11][C:10]([C:15]1[CH:20]=[CH:19][C:18]([O:21]CC3C=CC=CC=3)=[C:17]([O:29]CC3C=CC=CC=3)[CH:16]=1)=[C:9]([OH:37])[C:8]2=[O:38])(=[O:3])[CH3:2].C1(=O)[O:44][C:42](=[O:43])[CH2:41]C1>Cl.C(O)(=O)C.O.N1C=CC=CC=1>[OH:29][C:17]1[CH:16]=[C:15]([CH:20]=[CH:19][C:18]=1[OH:21])[C:10]1[O:11][C:12]2[C:7]([C:8](=[O:38])[C:9]=1[OH:37])=[CH:6][C:5]([NH:4][C:1]([CH2:2][CH2:41][C:42]([OH:44])=[O:43])=[O:3])=[CH:14][CH:13]=2 | 1 |
[C:1]([O:5][CH:6]([C:10]1[C:19]([CH3:20])=[CH:18][C:17]2[C:12](=[CH:13][C:14]([C:21]#[C:22][CH:23]3[CH2:25][CH2:24]3)=[CH:15][CH:16]=2)[C:11]=1[C:26]1[CH:31]=[CH:30][C:29]([Cl:32])=[CH:28][CH:27]=1)[C:7]([OH:9])=[O:8])([CH3:4])([CH3:3])[CH3:2]>CC#N.O>[C:1]([O:5][CH:6]([C:10]1[C:19]([CH3:20])=[CH:18][C:17]2[C:12](=[CH:13][C:14]([CH2:21][CH2:22][CH:23]3[CH2:25][CH2:24]3)=[CH:15][CH:16]=2)[C:11]=1[C:26]1[CH:27]=[CH:28][C:29]([Cl:32])=[CH:30][CH:31]=1)[C:7]([OH:9])=[O:8])([CH3:4])([CH3:2])[CH3:3] | 1 |
C(C)(=O)OC1=C(C(=O)OCCl)C=CC=C1.[N+](=O)([O-])OC(CCC(=O)OC1=C(C(=O)O)C=CC=C1)CO[N+](=O)[O-]>N(C)(C)C=O.CCN(CC)CC>C(C)(=O)OC1=C(C(=O)OCOC(C2=C(C=CC=C2)OC(CCC(CO[N+](=O)[O-])O[N+](=O)[O-])=O)=O)C=CC=C1 | 3 |
[CH2:1]([O:5][C:6]1[N:14]=[C:13]2[C:9]([N:10]=[C:11](Br)[N:12]2[C:15]2[CH:16]=[N:17][C:18]([O:21][CH2:22][CH2:23][CH2:24][CH2:25][OH:26])=[CH:19][CH:20]=2)=[C:8]([NH2:28])[N:7]=1)[CH2:2][CH2:3][CH3:4].[OH-:29].[Na+].Cl.[CH3:32]O>>[CH2:1]([O:5][C:6]1[N:14]=[C:13]2[C:9]([N:10]=[C:11]([O:29][CH3:32])[N:12]2[C:15]2[CH:16]=[N:17][C:18]([O:21][CH2:22][CH2:23][CH2:24][CH2:25][OH:26])=[CH:19][CH:20]=2)=[C:8]([NH2:28])[N:7]=1)[CH2:2][CH2:3][CH3:4] | 2 |
[F:1][C:2]([F:37])([F:36])[C:3]1[CH:4]=[C:5]([C@H:13]([N:15]([CH3:35])[C:16]([N:18]2[CH2:23][CH2:22][CH:21]([N+:24]([O-:26])=[O:25])[CH2:20][C@@H:19]2[C:27]2[CH:32]=[CH:31][C:30]([F:33])=[CH:29][C:28]=2[CH3:34])=[O:17])[CH3:14])[CH:6]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:8]=1.[F-].[K+].[C:40]([O:48][CH3:49])(=[O:47])/[CH:41]=[CH:42]\[C:43]([O:45][CH3:46])=[O:44].O>CS(C)=O.[I-].C([N+](CCCC)(CCCC)CCCC)CCC.CCOCC>[F:12][C:9]([F:10])([F:11])[C:7]1[CH:6]=[C:5]([C@H:13]([N:15]([CH3:35])[C:16]([N:18]2[CH2:23][CH2:22][C@@:21]([CH:42]([CH2:41][C:40]([O:48][CH3:49])=[O:47])[C:43]([O:45][CH3:46])=[O:44])([N+:24]([O-:26])=[O:25])[CH2:20][C@@H:19]2[C:27]2[CH:32]=[CH:31][C:30]([F:33])=[CH:29][C:28]=2[CH3:34])=[O:17])[CH3:14])[CH:4]=[C:3]([C:2]([F:1])([F:36])[F:37])[CH:8]=1 | 1 |
[C:1]1([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7](=[O:11])[CH2:8][CH2:9][OH:10].[CH3:18]I.[Mg].S(=O)(=O)(O)O>O.CCOCC.C1COCC1>[C:1]1([C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=2)[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]([OH:11])([CH3:18])[CH2:8][CH2:9][OH:10] | 1 |
CI.C(C)(C)(C)NS(=O)(=O)C=1C=NC(=CC1)Cl>C([O-])([O-])=O.[K+].[K+].CC(=O)C>C(C)(C)(C)N(S(=O)(=O)C=1C=NC(=CC1)Cl)C | 3 |
FC1(CCC(CC1)(O)C1=CC=C(C(=O)OC)C=C1)F>O.CO[H].[OH-].[Na+]>FC1(CCC(CC1)(O)C1=CC=C(C(=O)O)C=C1)F | 3 |
C[C@@]12CC[C@@H](C3=CC(NN=C13)=O)C2(C)C>P(=O)(Cl)(Cl)Cl>ClC=1N=NC=2[C@]3(CC[C@@H](C2C1)C3(C)C)C | 3 |
C1COCCN1.BrC1=CC(=C(C=O)C=C1)S(=O)(=O)C>CO[H].C(C)(=O)O.C(#N)[BH3-].[Na+]>BrC1=CC(=C(CN2CCOCC2)C=C1)S(=O)(=O)C | 3 |
[F:1][C:2]1[CH:3]=[C:4]([C:8]2[CH:9]=[C:10]([CH3:18])[C:11]([CH3:17])=[C:12]([CH:16]=2)[C:13]([OH:15])=O)[CH:5]=[CH:6][CH:7]=1.C(Cl)(C(Cl)=O)=O.[NH2:25][C:26]1[C:27]([F:34])=[C:28]([OH:33])[CH:29]=[CH:30][C:31]=1[F:32].C([O-])([O-])=O.[Na+].[Na+]>C(Cl)Cl.C1COCC1.CCOC(C)=O.O.CN(C=O)C>[F:34][C:27]1[C:28]([OH:33])=[CH:29][CH:30]=[C:31]([F:32])[C:26]=1[NH:25][C:13](=[O:15])[C:12]1[CH:16]=[C:8]([C:4]2[CH:5]=[CH:6][CH:7]=[C:2]([F:1])[CH:3]=2)[CH:9]=[C:10]([CH3:18])[C:11]=1[CH3:17] | 1 |
ClC1=CC(=C(C(=C1C#N)N1CC(C1)OC)OCC)C(C)O>N(C)(C)C=O.ClCCl.ClS(Cl)=O>ClC1=CC(=C(C(=C1C#N)N1CC(C1)OC)OCC)C(C)Cl | 3 |
COC(C1=C(C(=CC=C1OC)N)OC)=O>>COC(C1=C(C(=CC=C1OC)NC(C(F)(F)F)=O)OC)=O | 5 |
BrC1=CC(=C(C=C1)[N+](=O)[O-])F>C1CCCO1.C(=O)=O.C(C)(C)[N-]C(C)C.[Li+]>BrC1=CC=C(C(=C1C(=O)O)F)[N+](=O)[O-] | 3 |
[P:1]([OH:4])([OH:3])[OH:2].[NH:5]([CH2:10][C:11]([OH:13])=[O:12])[CH2:6][C:7]([OH:9])=[O:8].S(=O)(=O)(O)O.[CH2:19]=O>>[P:1]([CH2:19][N:5]([CH2:10][C:11]([OH:13])=[O:12])[CH2:6][C:7]([OH:9])=[O:8])([OH:4])([OH:3])=[O:2] | 1 |
C(C)OCC1(CCN(CC1)CC1=CC=C(C#N)C=C1)CCC1=CC=CC=C1>N(C)(C)C=O.C(C)OCC.[N-]=[N+]=[N-].[Na+].[Cl-].[NH4+]>N1N=NN=C1C1=CC=C(CN2CCC(CC2)(CCC2=CC=CC=C2)COCC)C=C1 | 3 |
[Cl:1][C:2]1[CH:36]=[CH:35][C:5]([O:6][C:7]2[C:12]([F:13])=[CH:11][C:10]([S:14]([N:17](CC3C=CC(OC)=CC=3OC)[C:18]3[S:22][N:21]=[CH:20][N:19]=3)(=[O:16])=[O:15])=[C:9]([F:34])[CH:8]=2)=[C:4]([C:37]2[N:41]3[CH:42]=[CH:43][N:44]=[CH:45][C:40]3=[CH:39][N:38]=2)[CH:3]=1.FC(F)(F)C(O)=O>ClCCl>[Cl:1][C:2]1[CH:36]=[CH:35][C:5]([O:6][C:7]2[C:12]([F:13])=[CH:11][C:10]([S:14]([NH:17][C:18]3[S:22][N:21]=[CH:20][N:19]=3)(=[O:15])=[O:16])=[C:9]([F:34])[CH:8]=2)=[C:4]([C:37]2[N:41]3[CH:42]=[CH:43][N:44]=[CH:45][C:40]3=[CH:39][N:38]=2)[CH:3]=1 | 1 |
[CH3:1][O:2][C:3]([NH:5][C:6]1[CH:11]=[CH:10][C:9]([S:12][C:13]2[CH:22]=[CH:21][C:16]([C:17]([O:19][CH3:20])=[O:18])=[CH:15][C:14]=2[N+:23]([O-])=O)=[CH:8][CH:7]=1)=[O:4].COC(=O)C1C=CC(SC2C=CC(NC(OC(C)(C)C)=O)=CC=2)=C([N+]([O-])=O)C=1>>[NH2:23][C:14]1[CH:15]=[C:16]([CH:21]=[CH:22][C:13]=1[S:12][C:9]1[CH:10]=[CH:11][C:6]([NH:5][C:3]([O:2][CH3:1])=[O:4])=[CH:7][CH:8]=1)[C:17]([O:19][CH3:20])=[O:18] | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]2[CH:8]=[CH:9][S:10][C:3]=12.[Li]CCCC.[O:16]1[CH:20]=[CH:19][CH:18]=[C:17]1[C:21](Cl)=[O:22]>C1COCC1>[Cl:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]2[CH:8]=[C:9]([C:21]([C:17]3[O:16][CH:20]=[CH:19][CH:18]=3)=[O:22])[S:10][C:3]=12 | 1 |
FC(C(=O)OC(C(F)F)=O)F.ClC1=CC=C(C=C1)N(C(=O)N1CCS(CC1)(=O)=O)CC1=C(C=C(C=C1)C(=O)NN)F>ClCCl.CCN(CC)CC.C(O)([O-])=O.[Na+]>ClC1=CC=C(C=C1)N(C(=O)N1CCS(CC1)(=O)=O)CC1=C(C=C(C=C1)C=1OC(=NN1)C(F)F)F | 3 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH2:9][CH2:10][C:11](=[O:14])[NH:12][N:13]=2)=[CH:4][C:3]=1[O:15][CH3:16].Br[CH2:18][CH2:19][CH2:20][CH3:21].C(=O)([O-])[O-].[K+].[K+]>CC(C)=O>[CH2:18]([O:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:9]=[CH:10][C:11](=[O:14])[NH:12][N:13]=2)=[CH:4][C:3]=1[O:15][CH3:16])[CH2:19][CH2:20][CH3:21] | 1 |
IC1=CC=C(C=C1)N.NC1=CC=C(C=C1)S(=O)(=O)N.C1C(=O)OC(=O)CN1CCN2CC(=O)OC(=O)C2>N(C)(C)C=O>C(=O)(O)CN(CCN(CC(=O)O)CC(NC1=CC=C(C=C1)S(N)(=O)=O)=O)CC(=O)NC1=CC=C(C=C1)I | 3 |
[CH3:1][O:2][C:3]1[C:19]([O:20][CH3:21])=[CH:18][C:6]2[CH:7]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=3)[CH2:8][NH:9][CH2:10][CH2:11][C:5]=2[CH:4]=1.[CH2:22](Br)[CH2:23][CH2:24][CH3:25].[OH-].[K+]>CO>[CH2:22]([N:9]1[CH2:8][CH:7]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[C:6]2[CH:18]=[C:19]([O:20][CH3:21])[C:3]([O:2][CH3:1])=[CH:4][C:5]=2[CH2:11][CH2:10]1)[CH2:23][CH2:24][CH3:25] | 1 |
[S:1]1[CH2:7][C:5](=[O:6])[NH:4][C:2]1=[S:3].[CH3:8][O:9][C:10]1[CH:15]=[C:14]([CH:16]=O)[CH:13]=[CH:12][C:11]=1[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[C:24]([F:27])([F:26])[F:25].C(O)(=O)C.CC([O-])=O.[Na+]>CCOC(C)=O>[CH3:8][O:9][C:10]1[CH:15]=[C:14]([CH:16]=[C:7]2[S:1][C:2](=[S:3])[NH:4][C:5]2=[O:6])[CH:13]=[CH:12][C:11]=1[C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][C:19]=1[C:24]([F:25])([F:27])[F:26] | 1 |
ClCCCCSC1=CC=NC=C1.N1=CC=C(C=C1)SCCCCN1C(NC2=CC=CC=C2C1=O)=S>N(C)(C)C=O.O.C1CCC2=NCCCN2CC1>Cl.Cl.N1=CC=C(C=C1)SCCCCN1C(N(C(C2=CC=CC=C12)=O)CCCCSC1=CC=NC=C1)=S | 3 |
[CH3:1][O:2][C:3]([C:5]1([C:8]2[CH:13]=[CH:12][C:11]([OH:14])=[C:10]([C:15](=O)[CH3:16])[CH:9]=2)[CH2:7][CH2:6]1)=[O:4].Cl.[NH2:19][OH:20].C([O-])(=O)C.[Na+]>CCO>[CH3:1][O:2][C:3]([C:5]1([C:8]2[CH:13]=[CH:12][C:11]([OH:14])=[C:10]([C:15](=[N:19][OH:20])[CH3:16])[CH:9]=2)[CH2:7][CH2:6]1)=[O:4] | 1 |
C(=O)(OC(C)(C)C)N1CCNCC1.ClC1=CC=C(C=C1)C1=CN=C2N1C=C(N=C2)C2=CC=C(C(=O)O)C=C2>N(C)(C)C=O.CN1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC(C(=O)O)(F)F.ClC1=CC=C(C=C1)C1=CN=C2N1C=C(N=C2)C2=CC=C(C=C2)C(=O)N2CCNCC2 | 3 |
ClC1=C(N)C=CC(=C1)F.BrC=1C=CC2=C(C=3SC(=CC3CCO2)C=2OC=NN2)C1>>BrC1=CC2=C(OCCC3=C2SC(=C3)C3=NN=CN3C3=C(C=C(C=C3)F)Cl)C=C1 | 5 |
ClC1=CC=C2C(=C(N(C2=C1C=1C(=NN(C1C)C)C)CCN1C2CN(C(C1)C2)C(COC2=C1CN(C(C1=CC=C2)=O)C2C(NC(CC2)=O)=O)=O)C(=O)OC(C)(C)C)CCCOC2=CC=CC1=CC=CC=C21>ClCCl.C(=O)(C(F)(F)F)O.CS(=O)C>ClC1=CC=C2C(=C(N(C2=C1C=1C(=NN(C1C)C)C)CCN1[C@@H]2CN([C@H](C1)C2)C(COC2=C1CN(C(C1=CC=C2)=O)C2C(NC(CC2)=O)=O)=O)C(=O)O)CCCOC2=CC=CC1=CC=CC=C21 | 3 |
[NH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([NH2:8])[N:3]=1.[F:9][C:10]1[CH:18]=[CH:17][CH:16]=[C:15]([F:19])[C:11]=1[C:12](Cl)=[O:13]>O1CCOCC1>[NH2:8][C:4]1[N:3]=[C:2]([NH:1][C:12](=[O:13])[C:11]2[C:10]([F:9])=[CH:18][CH:17]=[CH:16][C:15]=2[F:19])[CH:7]=[CH:6][CH:5]=1 | 1 |
Br[C:2]1[C:3]([F:16])=[C:4]([NH:9][S:10]([CH2:13][CH2:14][CH3:15])(=[O:12])=[O:11])[CH:5]=[CH:6][C:7]=1[F:8].[Cl:17][C:18]1[N:27]=[C:26]([N:28]2[CH2:33][CH2:32][O:31][CH2:30][CH2:29]2)[C:25]2[C:20](=[C:21]([O:43][CH3:44])[CH:22]=[C:23](B3OC(C)(C)C(C)(C)O3)[CH:24]=2)[N:19]=1.C(=O)([O-])[O-].[Na+].[Na+].C(Cl)Cl>COCCOC>[Cl:17][C:18]1[N:27]=[C:26]([N:28]2[CH2:29][CH2:30][O:31][CH2:32][CH2:33]2)[C:25]2[C:20](=[C:21]([O:43][CH3:44])[CH:22]=[C:23]([C:2]3[C:3]([F:16])=[C:4]([NH:9][S:10]([CH2:13][CH2:14][CH3:15])(=[O:12])=[O:11])[CH:5]=[CH:6][C:7]=3[F:8])[CH:24]=2)[N:19]=1 | 2 |
[N+](=O)([O-])C1=CC=C(C=C1)O.BrCCCCl>C([O-])([O-])=O.[K+].[K+].C(C)C(=O)C>ClCCCOC1=CC=C(C=C1)[N+](=O)[O-] | 3 |
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