Datasets:
Derify
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ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
[CH2:1]([Sn:5](=[O:10])[CH2:6][CH2:7][CH2:8][CH3:9])[CH2:2][CH2:3][CH3:4].[CH2:11]([OH:15])[CH2:12][CH2:13][CH3:14]>>[CH2:1]([Sn:5]([CH2:6][CH2:7][CH2:8][CH3:9])([O:15][CH2:11][CH2:12][CH2:13][CH3:14])[O:10][Sn:5]([CH2:6][CH2:7][CH2:8][CH3:9])([CH2:1][CH2:2][CH2:3][CH3:4])[O:15][CH2:11][CH2:12][CH2:13][CH3:14])[CH2:2][...
1
BrC1=C(C=C(C=C1)S(=O)(=O)Cl)F>C1(=CC=CC=C1)C.c3c(P(c1ccccc1)c2ccccc2)cccc3.Cl>BrC1=C(C=C(C=C1)S)F
3
C(#N)CC(=O)O.N[C@@H]1CC[C@H](CC1)NC=1C=C(C=2N(N1)C(=CN2)C(=O)NC2=C(C=NC=C2)F)NC2=NN(C=C2)C(C)C>>C(#N)CC(=O)N[C@@H]1CC[C@H](CC1)NC=1C=C(C=2N(N1)C(=CN2)C(=O)NC2=C(C=NC=C2)F)NC2=NN(C=C2)C(C)C
5
Cl[C:2]1[N:23]=[C:5]2[C:6]([C:10]3[CH:11]=[C:12]([CH:20]=[CH:21][CH:22]=3)[CH2:13][N:14]([CH3:19])[S:15]([CH3:18])(=[O:17])=[O:16])=[CH:7][CH:8]=[CH:9][N:4]2[N:3]=1.[CH3:24][N:25]1[CH2:30][CH2:29][CH:28]([C:31]2[CH:36]=[CH:35][C:34]([NH2:37])=[CH:33][CH:32]=2)[CH2:27][CH2:26]1.C1(P(C2CCCCC2)C2C=CC=CC=2C2C=CC=CC=2P(C2CC...
1
ClC(CC(=O)OCC)=O.NC1=NC=C(C=C1S(=O)(=O)N)Br>>C(C)OC(CC(=O)NC1=NC=C(C=C1S(N)(=O)=O)Br)=O
5
BrC1=C(C=NN(C1=O)CCC(=O)OCC)N[C@H]1[C@@H]([C@@H]2C([C@H](C1)C2)(C)C)C>>BrC1=C(C=NN(C1=O)CCC(=O)O)N[C@H]1[C@@H]([C@@H]2C([C@H](C1)C2)(C)C)C
5
ClC(=O)OC.NCCO[C@H]([C@H]1CN(CCC1)C(=O)OC(C)(C)C)C1=CC(=CC=C1)F>>FC=1C=C(C=CC1)[C@@H]([C@H]1CN(CCC1)C(=O)OC(C)(C)C)OCCNC(=O)OC
5
ClC1=NC=CC(=N1)C1=C(N=C2N1C=CC=C2)C=2C=CC(=C(C(=O)NC1=C(C=CC=C1F)F)C2)OCC.CC=1C(=CC(=C(N)C1)OC)N1CCN(CC1)CCS(=O)(=O)C>>FC1=C(C(=CC=C1)F)NC(C1=C(C=CC(=C1)C=1N=C2N(C=CC=C2)C1C1=NC(=NC=C1)NC1=C(C=C(C(=C1)C)N1CCN(CC1)CCS(=O)(=O)C)OC)OCC)=O
5
NCCCN1C(C=2C(C=3C=C(C=CC13)Cl)=NNC2CCO)=O>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>C(C)(C)(C)OC(NCCCN1C(C=2C(C=3C=C(C=CC13)Cl)=NN(C2CC=O)C2OCCCC2)=O)=O
3
[NH:1]1[CH:5]=[CH:4][N:3]=[CH:2]1.Cl[C:7]1[N:8]=[C:9]([NH:20][CH2:21][C:22]2[CH:27]=[CH:26][C:25]([F:28])=[CH:24][CH:23]=2)[C:10]2[C:15]3[CH2:16][CH2:17][CH2:18][CH2:19][C:14]=3[S:13][C:11]=2[N:12]=1>>[N:1]1([C:7]2[N:8]=[C:9]([NH:20][CH2:21][C:22]3[CH:23]=[CH:24][C:25]([F:28])=[CH:26][CH:27]=3)[C:10]3[C:15]4[CH2:16][CH...
1
Cl[C:2]([C:4]1[CH:9]=[CH:8][C:7]([N:10]2[N:14]=[C:13]3[CH:15]=[CH:16][C:17](C(Cl)=O)=[CH:18][C:12]3=[N:11]2)=[CH:6][CH:5]=1)=[O:3].[CH3:22][O:23]C(=O)C1C=CC(N)=CC=1.C1(N)C=CC=C([NH2:39])C=1>N1C=CC=CC=1>[CH3:22][O:23][C:2]([C:4]1[CH:9]=[CH:8][C:7]([N:10]2[N:14]=[C:13]3[CH:15]=[CH:16][C:17]([NH2:39])=[CH:18][C:12]3=[N:11...
1
NO.COC1=CC=C(C=C1)NC(=O)N1C[C@H](OC2=C(C1)C=CC(=C2)C(=O)OC)C2=CC=CC=C2>C1CCCO1.CO[H].[OH-].[Na+]>ONC(=O)C1=CC2=C(CN(C[C@H](O2)C2=CC=CC=C2)C(=O)NC2=CC=C(C=C2)OC)C=C1
3
[F:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH:4]=[CH:5][CH:6]=[C:7]2[CH:12]([OH:15])[CH2:13][CH3:14].CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C=CC=CC1=2)=O.S([O-])([O-])(=O)=S.[Na+].[Na+].[O-]S([O-])=O.[Na+].[Na+]>C(Cl)Cl.C([O-])(O)=O.[Na+].O>[F:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH:4]=[CH:5][CH:6]=[C:7]2[C:12](=[O...
2
COC1OC(CC1)OC.COC(=O)C1=CC(=CC(=C1)N)C(=O)OC>C(C)(=O)O>N1(C=CC=C1)C=1C=C(C=C(C(=O)OC)C1)C(=O)OC
3
C1(=CC=CC=C1)OC(OC1=CC=CC=C1)=O.COC(C1=NC=2NCCCC2C=C1CN(C(C)=O)C)OC>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>COC(C1=C(C=C2CCCN(C2=N1)C(=O)OC1=CC=CC=C1)CN(C(C)=O)C)OC
3
ClCC#N.ClC1=CC=C(C=C1)C(C(C)(O)C)CC1=CC=C(C=C1)Cl>>ClC1=CC=C(C=C1)C(C(C)(C)NC(CCl)=O)CC1=CC=C(C=C1)Cl
5
OCC1=CC=C(C=C1)CCNC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)Cl>>BrCC1=CC=C(C=C1)CCNC(=O)C1=CC=C(C=C1)C1=CC=C(C=C1)Cl
5
CC1(OB(OC1(C)C)C1=CC=C(C(=O)O)C=C1)C.FC1(CC(C1)N)F>C1CCCO1.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>FC1(CC(C1)NC(C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)=O)F
3
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([S:10][CH2:11][CH2:12][CH3:13])=[C:6]([NH:8][NH2:9])[CH:7]=1.[NH2:14][C:15]1[C:23]([Br:24])=[CH:22][C:21]([CH3:25])=[CH:20][C:16]=1[C:17](O)=[O:18].BrC1C(C)=CC(C(NNC2C=C(Cl)C=CC=2SCC)=O)=C([N+]([O-])=O)C=1>>[NH2:14][C:15]1[C:23]([Br:24])=[CH:22][C:21]([CH3:25])=[CH:20][C:16]=1[C:17]([NH:9...
2
CN(C)C=O.[CH3:6][O:7][C:8]1[CH:9]=[C:10]2[C:15](=[CH:16][C:17]=1[O:18][CH2:19][C:20]([F:23])([F:22])[F:21])[N:14]=[CH:13][NH:12][C:11]2=O.S(Cl)([Cl:27])=O>>[Cl:27][C:11]1[C:10]2[C:15](=[CH:16][C:17]([O:18][CH2:19][C:20]([F:23])([F:22])[F:21])=[C:8]([O:7][CH3:6])[CH:9]=2)[N:14]=[CH:13][N:12]=1
1
C1(CCC(=O)O1)=O.ClC1=CC=C(CNC(=O)C=2C(C3=C(N(C2)CC)SC(=C3)C#CCO)=O)C=C1>c1ccncc1>ClC1=CC=C(CNC(=O)C=2C(C3=C(N(C2)CC)SC(=C3)C#CCOC(CCC(=O)O)=O)=O)C=C1
3
C(C)(C)(C)OC(=O)N1CCC(CC1)CO.ClC=1C=C(C(=O)OC(C)(C)C)C=CC1F>CS(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)(C)OC(=O)C1=CC(=C(OCC2CCN(CC2)C(=O)OC(C)(C)C)C=C1)Cl
3
C([Li])CCC.Br[C:7]1[C:11]2[CH:12]=[C:13]([O:16][CH3:17])[CH:14]=[CH:15][C:10]=2[O:9][CH:8]=1.[C:18](=[O:20])=[O:19]>C1COCC1>[C:18]([C:7]1[C:11]2[CH:12]=[C:13]([O:16][CH3:17])[CH:14]=[CH:15][C:10]=2[O:9][CH:8]=1)([OH:20])=[O:19]
2
COC=1C=C(C=CC1)B(O)O.BrC=1C=CC(=NC1)C=O>C1(=CC=CC=C1)C.CCO[H].C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>COC=1C=C(C=CC1)C=1C=CC(=NC1)C=O
3
C1(=CC=CC=C1)C=1C=CC=2N(N1)C(=NN2)CC=2C=C(C(=CC2)N)N>C(=O)O>N1=CNC2=C1C=CC(=C2)CC2=NN=C1N2N=C(C=C1)C1=CC=CC=C1
3
Cl[C:2]1[N:7]=[C:6]([NH:8][C:9]2[CH:14]=[C:13]([NH:15][C:16]([C:18]3[C:23]4[O:24][C:25]5[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=5[C:22]=4[CH:21]=[CH:20][CH:19]=3)=[O:17])[CH:12]=[CH:11][C:10]=2[CH3:31])[CH:5]=[CH:4][N:3]=1.[CH3:32][OH:33].Cl>C(OCC)C>[CH:21]1[C:22]2[C:26]3[CH:27]=[CH:28][CH:29]=[CH:30][C:25]=3[O:24][C:23]=...
1
C(C)(C)(C)OC(=O)N[C@@H]1CNCC1.CN1N=CC(=C1NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NC(=O)OC1=CC=CC=C1>>CN1N=CC(=C1NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)NC(=O)N1C[C@H](CC1)NC(OC(C)(C)C)=O
5
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C1=CC=CC=C1)N1C[C@H]([C@@H](C1)C1=CC(=C(C=C1)Cl)Cl)NC>>C(C)(C)(C)OC(N(C)[C@@H]1CN(C[C@H]1C1=CC(=C(C=C1)Cl)Cl)CC1=CC=CC=C1)=O
5
[C:1]([CH2:4][CH2:5][C:6]1[C:11]([C:12]([OH:14])=[O:13])=[C:10]([OH:15])[C:9]([CH3:16])=[N:8][CH:7]=1)([OH:3])=[O:2].Cl>CO>[C:1]([CH:4]=[CH:5][C:6]1[C:11]([C:12]([OH:14])=[O:13])=[C:10]([OH:15])[C:9]([CH3:16])=[N:8][CH:7]=1)([OH:3])=[O:2]
2
[OH:1][CH2:2][C@H:3]([N:5]1[CH:14]=[CH:13][C:12]2[C:7](=[CH:8][CH:9]=[CH:10][C:11]=2[N+:15]([O-:17])=[O:16])[C:6]1=[O:18])[CH3:4].[C:19](OC(=O)C)(=[O:21])[CH3:20].C(N(CC)CC)C.C(Cl)Cl>CNC1(NC)C=CN=CC1>[C:19]([O:1][CH2:2][C@H:3]([N:5]1[CH:14]=[CH:13][C:12]2[C:7](=[CH:8][CH:9]=[CH:10][C:11]=2[N+:15]([O-:17])=[O:16])[C:6]1...
1
[CH3:1][C:2]1[CH:15]=[CH:14][C:5]([O:6][C:7]([CH3:13])([CH2:11][CH3:12])[C:8]([OH:10])=[O:9])=[CH:4][CH:3]=1.[Si:16]([O:23][C@H:24]1[CH2:33][C@H:32](O)[C@H:31]2[C:26]([CH:27]=[CH:28][C@H:29]([CH3:52])[C@@H:30]2[CH2:35][CH2:36][C@H:37]2[O:42][C:41](=[O:43])[CH2:40][C@H:39]([O:44][Si:45]([C:48]([CH3:51])([CH3:50])[CH3:49...
1
C(OC[CH2:12][N:13](C)[CH3:14])(=O)CCCCCCC.[C:16]([O:33][CH2:34][CH2:35][CH2:36]Br)(=[O:32])[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31].CNC.C(Cl)(Cl)Cl.CO>C(#N)C>[C:16]([O:33][CH2:34][CH2:35][CH2:36][N:13]([CH3:14])[CH3:12])(=[O:32])[CH2:17][CH...
1
O.NN.O=C1C2C(=CC=CC=2)C(=O)[N:6]1[CH2:15][CH2:16][N:17]1[C@@H:22]([CH3:23])[CH2:21][N:20]([C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[CH2:19][C@H:18]1[CH3:31]>CO>[NH2:6][CH2:15][CH2:16][N:17]1[C@@H:22]([CH3:23])[CH2:21][N:20]([C:24]([O:26][C:27]([CH3:28])([CH3:30])[CH3:29])=[O:25])[CH2:19][C@H:18]1[CH3:31]
1
IC1=CC2=C(N(CC(N2COCC[Si](C)(C)C)=O)C(=O)NC(CC)C2=CC=C(C=C2)OC(F)(F)F)N=C1>O.C(=O)(C(F)(F)F)O>IC1=CC2=C(N(CC(N2)=O)C(=O)NC(CC)C2=CC=C(C=C2)OC(F)(F)F)N=C1
3
ClC(=O)OOCC(C)C1=CC2=C(C=C1[N+](=O)[O-])OCO2>C1CCCO1.N1CCCCC1>C1OC=2C=C(C(=CC2O1)[N+](=O)[O-])C(COC(=O)N1CCCCC1)C
3
[ClH:1].O1CCOCC1.OC(C(F)(F)F)=O.OC(C(F)(F)F)=O.[CH3:22][O:23][C:24]1[CH:53]=[CH:52][C:27]2[N:28]=[C:29]([N:31]3[CH2:36][CH2:35][N:34](C(OC(C)(C)C)=O)[CH2:33][CH:32]3[CH2:44][O:45][C:46]3[CH:47]=[N:48][CH:49]=[CH:50][CH:51]=3)[O:30][C:26]=2[CH:25]=1>CO>[ClH:1].[CH3:22][O:23][C:24]1[CH:53]=[CH:52][C:27]2[N:28]=[C:29]([N:...
1
OC(C1=C(SC(=C1)C1=CC=NC=C1)C(=O)OCC)C1=CC2=CC=CC=C2C=C1>>OC(C1=C(SC(=C1)C1=CC=NC=C1)C(=O)O)C1=CC2=CC=CC=C2C=C1
5
NC=1C(=NSC1C(=O)OCC)C1=C(C=C(C=C1)Cl)Cl>>ClC1=C(C=CC(=C1)Cl)C1=NSC(=C1)C(=O)OCC
5
[Cl:1][C:2]1[C:3]([NH:12][S:13]([C:16]2[CH:25]=[CH:24][C:19]([C:20]([O:22][CH3:23])=[O:21])=[CH:18][CH:17]=2)(=[O:15])=[O:14])=[N:4][CH:5]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:7]=1.Br[CH2:27][C:28]1[CH:33]=[CH:32][C:31]([CH3:34])=[CH:30][CH:29]=1>>[Cl:1][C:2]1[C:3]([N:12]([CH2:27][C:28]2[CH:33]=[CH:32][C:31]([CH3:34])=...
2
C(C)OC(C(CCN1CCCC1)C)=O>>Cl.CC(CC(=O)O)CN1CCCC1
5
C[O:2][C:3](=[O:53])[C@H:4]([OH:52])[CH2:5][NH:6][C:7](=[O:51])[C:8]1[CH:13]=[CH:12][C:11]([CH2:14][N:15]([C:39]2[CH:44]=[CH:43][C:42]([CH:45]3[CH2:50][CH2:49][CH2:48][CH2:47][CH2:46]3)=[CH:41][CH:40]=2)[C:16]([NH:18][C:19]2[CH:24]=[CH:23][C:22]([O:25][C:26]([F:29])([F:28])[F:27])=[C:21]([CH2:30][O:31][Si:32]([C:35]([C...
1
O1C(CCCC1)N1N=CC2=CC=C(C=C12)/C=C/C(=O)OC.FC1CN(C1)CCC1=C(N)C=CC=C1>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].[Cl-].[NH4+]>FC1CN(C1)CCC1=C(C=CC=C1)NC(C=CC1=CC=C2C=NN(C2=C1)C1OCCCC1)=O
3
O=C(CP(OCC)(OCC)=O)C>CC#N.CCN(CC)CC.C(C)(=O)NC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-]>C(C)OP(=O)(OCC)C(C(C)=O)=NN
3
BrC=1C=C(C(=NC1)C#N)[N+](=O)[O-]>C1CCCO1.CS(=O)C.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>BrC=1C=C(C(=NC1)C#N)F
3
C(C)OCCOCCNC(OC(C)(C)C)=O>Cl.O1CCOCC1>C(C)OCCOCCN
3
C(#N)C1=CC=C(C=C1)C(C(=O)OC)C(C)=O.N(N)C1=CC(=C(C=N1)NS(=O)(=O)C)C>C(C)(=O)O>C(#N)C1=CC=C(C=C1)C=1C(=NN(C1O)C1=CC(=C(C=N1)NS(=O)(=O)C)C)C
3
C1NCCC2=CC=CC=C12.CC1=CC=C(C=C1)S(=O)(=O)OCCCCOC1=NC(=CC=C1)Cl>>ClC1=CC=CC(=N1)OCCCCN1CC2=CC=CC=C2CC1
5
C(C(C)(C)C)N.O=C1C=2C(=C(NC2CC(C1)C(=O)O)C1=CC=NC=C1)NC1=CC=CC=C1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.CCCP1(=O)OP(=O)(OP(=O)(O1)CCC)CCC>OC(CNC(=O)C1CC(C=2C(=C(NC2C1)C1=CC=NC=C1)NC1=CC=CC=C1)=O)(C)C
3
C(C=C)Br.FC1=CC=C(CNC2=CC(=C(C=C2)NC(OC(C)(C)C)=O)NC(OC(C)(C)C)=O)C=C1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>C(C=C)N(C1=CC(=C(C=C1)NC(OC(C)(C)C)=O)NC(OC(C)(C)C)=O)CC1=CC=C(C=C1)F
3
CC1=C2CCN(CC2=C(C(=C1C1=CC=C(C=C1)C)C=C)C)C(=O)OCC1=CC=CC=C1>O.C1CCCO1.O.O.[O-][Os](=O)(=O)[O-].[K+].[K+].I(=O)(=O)(=O)[O-].[Na+].[O-]S(=O)(=S)[O-].[Na+].[Na+]>C(=O)C1=C(C(=C2CCN(CC2=C1C)C(=O)OCC1=CC=CC=C1)C)C1=CC=C(C=C1)C
3
[H-].C([Al+]CC(C)C)C(C)C.[CH:11]1([C:17](=[C:25]([C:33]2[CH:38]=[CH:37][C:36]([F:39])=[CH:35][CH:34]=2)[C:26]2[CH:31]=[CH:30][C:29]([F:32])=[CH:28][CH:27]=2)[C:18](OCCCC)=[O:19])CCC[CH2:13][CH2:12]1.Cl>C(Cl)Cl>[CH:11]1([C:17](=[C:25]([C:26]2[CH:27]=[CH:28][C:29]([F:32])=[CH:30][CH:31]=2)[C:33]2[CH:38]=[CH:37][C:36]([F:...
1
[CH3:1][NH:2][C:3]1[N:8]=[C:7]([CH2:9][CH2:10][O:11][C:12]2[CH:17]=[CH:16][C:15]([CH2:18][CH:19]([C:26]3[CH:31]=[CH:30][CH:29]=[CH:28][N:27]=3)[CH2:20][C:21]([O:23]CC)=[O:22])=[CH:14][CH:13]=2)[CH:6]=[CH:5][CH:4]=1.[Li+].[OH-].Cl>C1COCC1.O>[CH3:1][NH:2][C:3]1[N:8]=[C:7]([CH2:9][CH2:10][O:11][C:12]2[CH:17]=[CH:16][C:15]...
2
FC(CN1CC(OC2(C1)CCN(CC2)C(=O)OC(C)(C)C)C=2OC=CN2)F>>Cl.FC(CN1CC(OC2(C1)CCNCC2)C=2OC=CN2)F
5
CC1(OB(OC1(C)C)C=1C=NNC1)C.BrC=1C=C2C(=NC1)N(C=C2)CC2CCN(CC2)C(=O)C2=CC=CC=C2>O.C(C)(=O)OCC.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].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]>N1N=CC(=C1)C=1C=C2C(=NC1)N(C=C2)CC2CCN(CC2)C(=O)C2=C...
3
C1COCCN1.C(C)(C)(C)OC(=O)N1CC(C(CC1)=O)C.S1C(=NC2=C1C=CC=C2)CC#N>CCO[H].[S]>NC1=C(C2=C(CN(CC2C)C(=O)OC(C)(C)C)S1)C=1SC2=C(N1)C=CC=C2
3
[OH:1][C:2]1C2C(=CC=CC=2)N=[CH:4][C:3]=1[C:12]([O:14][CH2:15][CH3:16])=[O:13].[F:17][C:18]1[CH:19]=[C:20]([CH:22]=[CH:23][C:24]=1[F:25])[NH2:21]>>[F:25][C:24]1[CH:23]=[C:22]2[C:20](=[CH:19][C:18]=1[F:17])[N:21]=[CH:4][C:3]([C:12]([O:14][CH2:15][CH3:16])=[O:13])=[C:2]2[OH:1]
1
ClC1=CC=C(C=C1)C1(CCNCC1)O.CS(=O)(=O)OC1=NC(=CC=C1)C=1SC2=C(C(N1)=O)C=CC=C2>>ClC1=CC=C(C=C1)C1(CCN(CC1)CC1=CC=CC(=N1)C=1SC2=C(C(N1)=O)C=CC=C2)O
5
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C=C)N.ClC1=CC=C2C(=C[N+](=CC2=C1)[O-])CCC=O>C1CCCO1.N([S](=O)(=O)C1=CC=CC=C1)([S](=O)(=O)C2=CC=CC=C2)F.C(C)(C)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].N1C(C(=O)O)CCC1>C(C=C)N(C(OC(C)(C)C)=O)CC(CC1=C[N+](=CC2=CC(=CC=C12)Cl)[O-])F
3
Cl.[NH2:2][C:3]1([CH3:23])[CH2:8][CH2:7][N:6]([CH2:9][C@@H:10]([C:12]2[C:13]([CH3:22])=[C:14]3[C:18](=[CH:19][CH:20]=2)[C:17](=[O:21])[O:16][CH2:15]3)[OH:11])[CH2:5][CH2:4]1.[N:24]1([C:29]2[N:30]=[CH:31][C:32]([C:35](O)=[O:36])=[N:33][CH:34]=2)[CH:28]=[N:27][N:26]=[N:25]1>>[OH:11][C@H:10]([C:12]1[C:13]([CH3:22])=[C:14]...
2
Cl[CH2:2][CH2:3][C@@H:4]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)[OH:5].[I-:12].[Na+]>C(N(CC)CC)C.C(C(C)=O)C>[I:12][CH2:2][CH2:3][C@@H:4]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)[OH:5]
1
C[S-].[Na+].C[S:5]([CH3:7])=O.[F:8][C:9]([F:13])=[C:10]([F:12])[F:11].COS([O:19][CH3:20])(=O)=O.[C:21](=O)=[O:22]>>[CH3:7][S:5][C:9]([C:10]([C:21]([O:19][CH3:20])=[O:22])([F:12])[F:11])([F:13])[F:8]
1
C(C)(C)(C)OC(=O)N1CC(C(C2=CC=CC=C12)=O)(C)C>>C(C)(C)(C)OC(=O)N1CC(CC2=CC=CC=C12)(C)C
5
OCCCNC1=C(C#N)C=CC(=C1)N1N=C(C2=C(C=CC=C12)C=1C=NC2=CC=CC=C2C1)C>>OCCCNC1=C(C(=O)N)C=CC(=C1)N1N=C(C2=C(C=CC=C12)C=1C=NC2=CC=CC=C2C1)C
5
FC1C=CC(NC(=O)NC2C=CC(C3C=C4C(CN([C@@H](C(C)C)C(O)=O)C4=O)=CC=3)=CC=2)=CC=1.[CH3:35][CH:36]([CH3:69])[C@H:37]([N:42]1[CH2:50][C:49]2[C:44](=[CH:45][C:46]([C:51]3[CH:56]=[CH:55][C:54]([NH:57][C:58]([NH:60][C:61]4[CH:62]=[C:63]([CH3:67])[CH:64]=[CH:65][CH:66]=4)=[O:59])=[CH:53][CH:52]=3)=[CH:47][CH:48]=2)[C:43]1=[O:68])[...
1
C(C)C1=NC2=CC=CC(=C2C(N1C1=CC=C(C=C1)F)=O)C>O.BrBr.C(C)(=O)O.C(C)(=O)[O-].[Na+]>BrC(C)C1=NC2=CC=CC(=C2C(N1C1=CC=C(C=C1)F)=O)C
3
CC1C=[C:4]([SH:9])C=CC=1C.[C:10]([O:15][C:16](=[O:20])[C:17]([CH3:19])=[CH2:18])(=O)[C:11]([CH3:13])=[CH2:12].[CH2:21](N(CC)CC)C>ClCCl>[C:16]([O:15][C:10]1[S:9][CH:4]=[C:12]([CH3:21])[C:11]=1[CH3:13])(=[O:20])[C:17]([CH3:19])=[CH2:18]
2
[NH2:1][C:2]1[CH:16]=[CH:15][CH:14]=[CH:13][C:3]=1[CH2:4][NH:5][C:6]1[CH:7]=[C:8]([OH:12])[CH:9]=[CH:10][CH:11]=1.[C:17](O)(C(F)(F)F)=O>C(Cl)Cl.COC(OC)OC.C(#N)C>[OH:12][C:8]1[CH:7]=[C:6]([N:5]2[CH2:4][C:3]3[C:2](=[CH:16][CH:15]=[CH:14][CH:13]=3)[N:1]=[CH:17]2)[CH:11]=[CH:10][CH:9]=1
2
CNC(=O)C(CC)(CC)NC(OC(C)(C)C)=O>Cl.C(C)(=O)OCC>Cl.NC(C(=O)NC)(CC)CC
3
FC=1C=C(C=CC1C)OC>B(Br)(Br)Br>FC=1C=C(C=CC1C)O
3
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]2[C:14](S(C)(=O)=O)=[N:15][C:16]([C:17]([F:20])([F:19])[F:18])=[C:10]2[CH:9]1[CH2:25][CH2:26][C:27]1[CH:32]=[CH:31][C:30]([C:33]([F:36])([F:35])[F:34])=[CH:29][CH:28]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(Cl)Cl.[CH3:40][OH:41]>CO>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]2...
2
BrC1=CC2=C(SC=C2)C=C1>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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)[O-].[K+]>S1C=CC2=C1C=CC(=C2)B2OC(C)(C)C(C)(C)O2
3
C1(=CC=CC=C1)C=O.C(#N)C=1C=C2C=CNC2=CC1>CO[H].[OH-].[Na+]>OC(C1=CNC2=CC=C(C=C12)C#N)C1=CC=CC=C1
3
[F:1][C:2]1[CH:3]=[C:4]([OH:8])[CH:5]=[CH:6][CH:7]=1.F[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=1[N+:16]([O-:18])=[O:17].[F:19][C:20]1[CH:21]=[C:22]([CH:31]=[CH:32][CH:33]=1)[O:23][C:24]1[CH:30]=[CH:29][CH:28]=[CH:27][C:25]=1[NH2:26].[NH2:34][C:35]1[S:36][CH:37]=[CH:38][N:39]=1>>[F:1][C:2]1[CH:3]=[C:4]([CH:5]=[CH:6][...
1
[CH2:1]([O:8][C:9]1[C:14](=[O:15])[CH:13]=[CH:12]O[C:10]=1[CH3:16])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C(OC1C(=O)C=COC=1C)C1C=CC=CC=1.C(N1C=CC(=O)C(O)=C1C)(=O)C.[NH2:45][CH2:46][CH2:47][C:48]([OH:50])=[O:49].[OH-].[Na+]>O.C(O)C>[CH2:1]([O:8][C:9]1[C:14](=[O:15])[CH:13]=[CH:12][N:45]([CH2:46][CH2:47][C:48]([OH:50])...
1
[C:1]([C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1)(=[O:3])[CH3:2]>C1COCC1>[C:4]1([CH:1]([OH:3])[CH3:2])[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1
1
C(=O)(OC(C)(C)C)N1CCNCC1.O1CCN(CC1)C1=CC(=C(C=O)C=C1)C(F)(F)F>C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>N1(CCOCC1)C1=CC(=C(C=C1)CN1CCN(CC1)C(=O)OC(C)(C)C)C(F)(F)F
3
Br[C:2]1[C:3]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)=[N:4][C:5]2[C:10]([N:11]=1)=[CH:9][C:8]([C:12]([O:14][CH3:15])=[O:13])=[CH:7][CH:6]=2.[F:22][C:23]([F:30])([F:29])[C@H:24]1[CH2:28][CH2:27][CH2:26][NH:25]1>CCCCO>[C:16]1([C:3]2[C:2]([N:25]3[CH2:26][CH2:27][CH2:28][C@@H:24]3[C:23]([F:30])([F:29])[F:22])=[N:11...
1
C(C1=CC=CC=C1)Br.C(C)C=1NC2=CC=C(C=C2C1)OC>N(C)(C)C=O.O.C1CCCO1.[H-].[Na+]>C(C)C=1N(C2=CC=C(C=C2C1)OC)CC1=CC=CC=C1
3
ClC1=CC=C2CCCNC2=C1.BrC1=NN(C2=C1CN(CC2)C(C)=O)C2CCOCC2.CC(C)OC1=C(C(=CC=C1)OC(C)C)C2=CC=CC=C2P(C3CCCCC3)C4CCCCC4.C1=CC=C([C-]=C1)C2=CC=CC=C2N.Cl[Pd+]>>ClC1=CC=C2CCCN(C2=C1)C1=NN(C2=C1CN(CC2)C(C)=O)C2CCOCC2
5
[CH3:1][O:2][CH2:3][CH2:4][NH2:5].O.[O:7]=[CH:8][C@@H:9]([C@H:11]([C@@H:13]([C@@H:15]([CH2:17][OH:18])[OH:16])[OH:14])[OH:12])O.N#N>>[CH3:1][O:2][CH2:3][CH2:4][NH:5][CH:17]1[O:18][C@H:9]([CH2:8][OH:7])[C@@H:11]([OH:12])[C@H:13]([OH:14])[C@H:15]1[OH:16]
1
COC1=CC=C(C(=O)C2=CC=C(C=C2)OC)C=C1>c1ccncc1.CCO[H].Cl.NO>COC1=CC=C(C=C1)C(=NO)C1=CC=C(C=C1)OC
3
C1(=CC=CC=C1)N=C=O.CC=1C=C(C=CC1)C=1N=C(SC1C1=NC(=NC=C1)C)N>CN(C(C)=O)C>CC1=NC=CC(=N1)C1=C(N=C(S1)NC(=O)NC1=CC=CC=C1)C1=CC(=CC=C1)C
3
[Br:1][C:2]1[CH:3]=[C:4]([CH:6]=[CH:7][C:8]=1[CH3:9])[NH2:5].[I:10]N1C(=O)CCC1=O.[B-](F)(F)(F)F.C1C=CN=CC=1.C1C=CN=CC=1.[IH2+]>C(Cl)Cl>[Br:1][C:2]1[C:8]([CH3:9])=[CH:7][C:6]([I:10])=[C:4]([CH:3]=1)[NH2:5]
1
CN.C(C)O.CC1=C(C=C(C=C1)C=1OC(=NN1)C)NC(C1=CC=C(C=C1)OCC1=NC=CC=C1)=O>>CN1C(=NN=C1C)C=1C=CC(=C(C1)NC(C1=CC=C(C=C1)OCC1=NC=CC=C1)=O)C
3
[CH3:1][O:2][C:3]1[CH:21]=[CH:20][C:6]([CH2:7][O:8][C:9]([N:11]2[CH2:18][C@H:17]([OH:19])[CH2:16][C@H:12]2[C:13]([OH:15])=[O:14])=[O:10])=[CH:5][CH:4]=1.[N+](=[CH2:24])=[N-]>CO.O1CCCC1>[CH3:24][O:14][C:13](=[O:15])[C@@H:12]1[CH2:16][C@@H:17]([OH:19])[CH2:18][N:11]1[C:9]([O:8][CH2:7][C:6]1[CH:5]=[CH:4][C:3]([O:2][CH3:1]...
1
[CH2:1]([C:8]1[S:12][C:11]([C:13]2[CH:18]=[C:17]([F:19])[CH:16]=[CH:15][C:14]=2[F:20])=[N:10][C:9]=1[CH:21]=[N:22][S@@:23]([C:25]([CH3:28])([CH3:27])[CH3:26])=[O:24])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[Li][C:30]([CH3:33])([CH3:32])[CH3:31]>C1COCC1>[CH2:1]([C:8]1[S:12][C:11]([C:13]2[CH:18]=[C:17]([F:19])[CH:16]=[C...
1
[OH-].[K+].[Cl:3][C:4]1[CH:9]=[CH:8][C:7]([C:10]2[S:11][C:12]([C:16]([NH:18][CH2:19][CH:20]3[CH2:25][CH2:24][CH2:23][N:22]([C:26]4[CH:31]=[CH:30][CH:29]=[CH:28][C:27]=4[CH2:32][C:33]([O:35]C)=[O:34])[CH2:21]3)=[O:17])=[C:13]([CH3:15])[N:14]=2)=[CH:6][CH:5]=1>CO>[Cl:3][C:4]1[CH:9]=[CH:8][C:7]([C:10]2[S:11][C:12]([C:16](...
2
Cl[CH2:2][CH2:3][CH2:4][CH2:5][C:6]#[CH:7].[NH:8]1[CH2:13][CH2:12][CH2:11][CH2:10][CH2:9]1.C(=O)([O-])O.[Na+]>CN(C=O)C>[CH2:2]([N:8]1[CH2:13][CH2:12][CH2:11][CH2:10][CH2:9]1)[CH2:3][CH2:4][CH2:5][C:6]#[CH:7]
1
[CH2:1]([C@H:4]1[O:13][C:8]2([CH2:12][CH2:11][CH2:10][CH2:9]2)[O:7][C@@H:6]([CH2:14][C:15]#[N:16])[CH2:5]1)[CH:2]=C.[O:17]=[O+][O-]>ClCCl>[O:17]=[CH:2][CH2:1][C@H:4]1[O:13][C:8]2([CH2:12][CH2:11][CH2:10][CH2:9]2)[O:7][C@@H:6]([CH2:14][C:15]#[N:16])[CH2:5]1
1
[N+:1]([C:4]1[CH:5]=[C:6]([OH:10])[CH:7]=[CH:8][CH:9]=1)([O-])=O.Br[CH2:12][C:13]1[CH:20]=[CH:19][C:16]([C:17]#[N:18])=[CH:15][CH:14]=1.BrCC1C=CC=C(F)C=1>>[NH2:1][C:4]1[CH:5]=[C:6]([CH:7]=[CH:8][CH:9]=1)[O:10][CH2:12][C:13]1[CH:20]=[CH:19][C:16]([C:17]#[N:18])=[CH:15][CH:14]=1
1
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:21][CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)=[C:6]([CH2:8][C:9]2[S:10][CH:11]=[C:12]([C:14](/[N:16]=[CH:17]/[N:18]([CH3:20])[CH3:19])=[O:15])[N:13]=2)[CH:7]=1.[CH3:29]OC(OC)(N(C)C)C>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:21][CH2:22][C:23]2[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]...
2
[C-]#N.[Na+].CS(=O)(=O)OC[C@@H](COCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC>N(C)(C)C=O>C(CCCCCCCCCCCCCCCCC)O[C@@H](CC#N)COCCCCCCCCCCCCCCCCCC
3
[CH2:1]([O:8][C:9]([N:11]1[CH2:15][C@@H:14]([C:16]([F:19])([F:18])[F:17])[C@H:13]([CH2:20][N:21]2C(=O)C3=CC=CC=C3C2=O)[CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.O.NN>CO>[CH2:1]([O:8][C:9]([N:11]1[CH2:15][C@@H:14]([C:16]([F:19])([F:17])[F:18])[C@H:13]([CH2:20][NH2:21])[CH2:12]1)=[O:10])[C:2]1[CH:3]=[CH:4...
1
[C@@H]12C(NC[C@H]2C1)=O.ClC1=NC=C(C(=N1)C)C1(CCC1)O>O1CCOCC1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].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+]>OC1(CCC1)C=1C(=NC(=NC1)N1C...
3
BrCC(=O)C1=CC=C(C=C1)C.CC1(C(N(C(N1)=O)C(=O)C1=CC=CC2=CC=CC=C12)=O)C>>CC1(C(N(C(N1CC(C1=CC=C(C=C1)C)=O)=O)C(=O)C1=CC=CC2=CC=CC=C12)=O)C
5
CC(C)S.ClC1=C(C=NC=C1)[N+](=O)[O-]>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>[N+](=O)([O-])C=1C=NC=CC1SC(C)C
3
C(N(CC)CC)C.[NH2:8][CH2:9][CH2:10][NH:11][C:12](=[O:18])[O:13][C:14]([CH3:17])([CH3:16])[CH3:15].Cl[C:20]1[C:29]2[C:24](=[CH:25][CH:26]=[CH:27][CH:28]=2)[N:23]=[CH:22][C:21]=1[N+:30]([O-:32])=[O:31]>ClCCl>[N+:30]([C:21]1[CH:22]=[N:23][C:24]2[C:29]([C:20]=1[NH:8][CH2:9][CH2:10][NH:11][C:12](=[O:18])[O:13][C:14]([CH3:15]...
1
[Cl:1][C:2]1[N:7]=[N:6][C:5]([C:8]([NH2:10])=O)=[CH:4][CH:3]=1.N1C=CC=CC=1.C(OC(C(F)(F)F)=O)(C(F)(F)F)=O.O>ClCCl>[Cl:1][C:2]1[N:7]=[N:6][C:5]([C:8]#[N:10])=[CH:4][CH:3]=1
1
C1(=CC=CC=C1)COC(NCCC1=CNC2=CC=C(C=C12)CN)=O>c1ccncc1.CS(=O)(=O)Cl>C1(=CC=CC=C1)COC(NCCC1=CNC2=CC=C(C=C12)CNS(=O)(=O)C)=O
3
COC(CN)OC.BrC=1C=C(C(=NC1)Cl)C(=NC1=C(C(=CC=C1)Cl)Cl)Cl>>BrC=1C=C(C(=NC1)Cl)C=1N(C=CN1)C1=C(C(=CC=C1)Cl)Cl
5