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
C(C)C=1C=C(C=CC1OCCN1C[C@H](NCC1)C)N1C(N(C(C1(C)C)=O)C=1C=C(C(=NC1)C#N)C(F)(F)F)=S.ClCC(=O)NC1=CC(=CC(=C1)NC1C(NC(CC1)=O)=O)Cl>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC>Cl.ClC=1C=C(C=C(C1)NC1C(NC(CC1)=O)=O)NC(CN1[C@@H](CN(CC1)CCOC1=C(C=C(C=C1)N1C(N(C(C1(C)C)=O)C=1C=NC(=C(C1)C(F)(F)F)C#N)=S)CC)C)=O
3
[CH2:1]([O:5][CH2:6][CH2:7][O:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[CH:16]=[CH:17][C:18]3[N:24]([CH2:25][CH:26](C)[CH3:27])[CH2:23][CH2:22][C:21]([C:29]([NH:31][C:32]4[CH:37]=[CH:36][C:35]([CH2:38][S:39][C:40]5[CH:45]=[CH:44][CH:43]=[CH:42][N:41]=5)=[CH:34][CH:33]=4)=[O:30])=[CH:20][C:19]=3[CH:46]=2)=[CH:11][CH:10]=1)[...
1
[NH2:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[Na+].[NH2:10][C:11]1[N:20]=[C:19]([NH2:21])[C:18]2[C:13](=[CH:14][CH:15]=[CH:16][C:17]=2F)[N:12]=1>CS(C)=O>[NH2:10][C:11]1[N:20]=[C:19]([NH2:21])[C:18]2[C:13](=[CH:14][CH:15]=[CH:16][C:17]=2[NH:1][C:2]2[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=2)[N:12]=1
1
Br[C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH:4]=[CH:5][N:6]=[C:7]2[NH:12][C:13]1[CH:14]=[C:15]2[C:20](=[CH:21][CH:22]=1)[N:19]=[CH:18][CH:17]=[CH:16]2.[CH3:23][O:24][C:25]1[CH:30]=[CH:29][C:28](B(O)O)=[CH:27][N:26]=1>>[CH3:23][O:24][C:25]1[CH:30]=[CH:29][C:28]([C:2]2[CH:11]=[CH:10][CH:9]=[C:8]3[C:3]=2[CH:4]=[CH:5][N:...
2
CC1C=C(N2CCN(CCOC3C=CC=CC=3)C2=O)SC=1C(O)=O.[F:25][C:26]1[CH:47]=[CH:46][C:29]([CH2:30][N:31]2[CH2:35][CH2:34][N:33]([C:36]3[S:40][C:39]([C:41](O)=[O:42])=[C:38]([CH3:44])[CH:37]=3)[C:32]2=[O:45])=[CH:28][CH:27]=1.[CH2:48]1[C:56]2[C:51](=[CH:52][CH:53]=[CH:54][CH:55]=2)[CH2:50][CH:49]1[NH2:57]>>[CH2:48]1[C:56]2[C:51](=...
1
ClC(C(=O)C=1NC=C(C1)[N+](=O)[O-])(Cl)Cl>C1(=CC=NC=C1)N(C)C.CO[H]>[N+](=O)([O-])C=1C=C(NC1)C(=O)OC
3
[NH:1]([C:3]1[C:4]([N:17]2[CH2:22][CH2:21][N:20]([CH3:23])[CH2:19][CH2:18]2)=[N:5][C:6]2[C:11]([N:12]=1)=[CH:10][C:9]([C:13]([F:16])([F:15])[F:14])=[CH:8][CH:7]=2)[NH2:2].[CH:24](OCC)(OCC)OCC>>[CH3:23][N:20]1[CH2:19][CH2:18][N:17]([C:4]2[C:3]3[N:12]([CH:24]=[N:2][N:1]=3)[C:11]3[C:6]([N:5]=2)=[CH:7][CH:8]=[C:9]([C:13]([...
2
CSC1=CC(=NC=N1)C=1C(=NNC1N)N.FC(C=O)C(C(F)F)(O)O>O1CCOCC1.[OH-].[K+]>FC(C1=C(C=NC=2N1N=C(C2C2=NC=NC(=C2)SC)N)F)F
3
C(#N)C1=CC=C(C=C1)S(=O)(=O)Cl.COC(C1=CC=C(C=C1)N(S(=O)(=O)C1=CC=C(C=C1)OC)CC1=CC=CC=C1)=O.N1=C(C=CC=C1)CNCC1=CC=C(C=C1)C=1N=NNN1>>C(#N)C1=CC=C(C=C1)S(=O)(=O)N(CC1=CC=C(C=C1)C=1N=NNN1)CC1=NC=CC=C1
5
FC(C=1C=C(C=C(C1)C(F)(F)F)C1OC(N(C12CC2)CC2=NC(=NC=C2C=2C=C(C=CC2OC)C2=C(C=C(C=C2)C(=O)OC)C)SC)=O)(F)F>O.C1CCCO1.S(=O)(=O)(O[O-])[O-].[K+].[K+]>FC(C=1C=C(C=C(C1)C(F)(F)F)C1OC(N(C12CC2)CC2=NC(=NC=C2C=2C=C(C=CC2OC)C2=C(C=C(C=C2)C(=O)OC)C)S(=O)(=O)C)=O)(F)F
3
C(C#C)OC(C(=O)Cl)C1=CC=C(C=C1)Cl.NC=1C(=NC=CC1)C1=CC(=C(C=C1)OC)OC>>COC=1C=C(C=CC1OC)C1=NC=CC=C1NC(C(C1=CC=C(C=C1)Cl)OCC#C)=O
5
C([N:4]1[CH2:9][CH2:8][C:7]2([CH2:14][CH2:13][C:12]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)([N:15]([CH3:17])[CH3:16])[CH2:11][CH2:10]2)[CH2:6][CH2:5]1)C=C>Cl[Ru](=CC1C=CC=CC=1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)Cl.C1(C)C=CC=CC=1>[CH3:16][N:15]([CH3:17])[C:12]1([C:18]2[CH:19]=[CH:2...
1
Br[C@@H]1[C@@H](C[C@H]2C(O[C@@H]12)=O)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>C(C)OCC.[Cl-].[NH4+].[BH4-].[Li+]>Br[C@H]1[C@@H]([C@@H](C[C@H]1NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)CO)O
3
Br[C:2]1[CH:10]=[CH:9][C:8]([O:11][CH3:12])=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].Cl.[CH2:14]([O:21][C:22]1[CH:28]=[CH:27][C:25]([NH2:26])=[CH:24][CH:23]=1)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.C(=O)([O-])[O-].[K+].[K+]>C(O)CCCC.[Cu]>[CH2:14]([O:21][C:22]1[CH:23]=[CH:24][C:25]([NH:26][C:2]2[CH:10]=[CH:9][C:8]([O:11...
1
C(N)(=O)C=1C=C(C=C2C=3C=CC(=CC3NC12)C1=CCN(CC1)C(=O)OC(C)(C)C)C1=CC(=C(C=C1)CN1CCOCC1)C>CO[H].[HH].[Pd]>C(N)(=O)C=1C=C(C=C2C=3C=CC(=CC3NC12)C1CCN(CC1)C(=O)OC(C)(C)C)C1=CC(=C(C=C1)CN1CCOCC1)C
3
C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=C(C(=O)OC)C=CC(=C1)N1CCCC1>C1CCCO1.CO[H].[OH-].[Li+]>C(C)(C)(C)OC(=O)N1CCC(CC1)OC1=C(C(=O)O)C=CC(=C1)N1CCCC1
3
C(C)(C)(C)OC(=O)NC(C(=O)O)CC(F)(F)F>CC(C)C[AlH]CC(C)C.ClCCl.C(C)(=O)OCC.C(=O)(C=1NC=CN1)C=1NC=CN1>FC(CC(C=O)NC(OC(C)(C)C)=O)(F)F
3
N1C=C(C=2C1=NC=CC2)C=O.O=C1C(=C(OC1)NN1CCN(CC1)CC(F)(F)F)C(=O)OCC>>N1C=C(C=2C1=NC=CC2)C=C2C(C(=C(O2)NN2CCN(CC2)CC(F)(F)F)C(=O)OCC)=O
5
ClC1=NC=C(C(=N1)Cl)OC.CN1C(=NC(=C1)C(F)(F)F)C1=CC=C(C=C1)CN>ClCCl.C(C)(C)N(C(C)C)CC>ClC1=NC=C(C(=N1)NCC1=CC=C(C=C1)C=1N(C=C(N1)C(F)(F)F)C)OC
3
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[O:13][CH3:14])[NH:9][C:8](=[O:15])[CH:7]([C:16]([OH:18])=O)[CH2:6]2.[NH2:19][C:20]1[CH:21]=[C:22]([CH:27]=[CH:28][C:29]=1[Cl:30])[C:23]([O:25][CH3:26])=[O:24].C(N(CC)CC)C.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C.CCOC(C)=O>[CH3:26][O:25][C:23]...
2
BrC=1C=C(C=CC1)C1=NC(=C(C(=O)OC)C=C1)CC>BrN1C(CCC1=O)=O.C(Cl)(Cl)(Cl)Cl.CC(C)(C#N)/N=N/C(C)(C)C#N>BrC(C)C1=C(C(=O)OC)C=CC(=N1)C1=CC(=CC=C1)Br
3
Cl.ClC1=CC(=C(C=C1)C=1C=C(C(=O)OC)C=CN1)F>CO[H].[HH].[Pt](=O)=O>Cl.ClC1=CC(=C(C=C1)C1NCCC(C1)C(=O)OC)F
3
NC=1C=C(C=CC1)B(O)O.COC1=CC=C(C=C1)C=1C[C@H]2C(N(C3=C(C(N2C1)=O)C=C(C(=C3)OCCCOC3=CC1=C(C(N2[C@H](C(N1COCC[Si](C)(C)C)=O)CC(=C2)S(=O)(=O)C(F)(F)F)=O)C=C3OC)OC)COCC[Si](C)(C)C)=O>C1(=CC=CC=C1)C.O.CCO[H].C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccc...
3
[N:1]([C:4]1[C:12]([CH2:13]/[CH:14]=[C:15](\[CH3:22])/[CH2:16][CH2:17][C:18]([O:20][CH3:21])=[O:19])=[C:11]([O:23][CH3:24])[C:10]([CH3:25])=[C:9]2[C:5]=1[C:6](=[O:26])[O:7][CH2:8]2)=[C:2]=[O:3].[CH3:27][OH:28]>>[CH3:27][O:28][C:2]([NH:1][C:4]1[C:12]([CH2:13]/[CH:14]=[C:15](\[CH3:22])/[CH2:16][CH2:17][C:18]([O:20][CH3:2...
1
Cl.C(C1=CC=NC=C1)(=O)Cl.FC1=C(C=C(C=C1)C=1N=C2N(N=CC=C2)C1C1=CC(=NC=C1)N)C>C1CCCO1.CCN(CC)CC>FC1=C(C=C(C=C1)C=1N=C2N(N=CC=C2)C1C1=CC(=NC=C1)NC(C1=CC=NC=C1)=O)C
3
[Cl:1][C:2]1[C:7]([N+:8]([O-])=O)=[CH:6][C:5]([N:11]2[C:16](=[O:17])[CH:15]=[C:14]([C:18]([F:21])([F:20])[F:19])[N:13]([CH3:22])[C:12]2=[O:23])=[C:4]([F:24])[CH:3]=1>C(O)(=O)C.O.[Fe]>[NH2:8][C:7]1[C:2]([Cl:1])=[CH:3][C:4]([F:24])=[C:5]([N:11]2[C:16](=[O:17])[CH:15]=[C:14]([C:18]([F:21])([F:20])[F:19])[N:13]([CH3:22])[C...
1
C(O[C:4](=[O:9])[C:5]([F:8])([F:7])[F:6])C.[NH2:10][CH2:11][CH2:12][NH:13][CH2:14][CH2:15][NH2:16]>C1COCC1>[NH:13]([CH2:14][CH2:15][NH:16][C:4](=[O:9])[C:5]([F:6])([F:7])[F:8])[CH2:12][CH2:11][NH:10][C:4](=[O:9])[C:5]([F:8])([F:7])[F:6]
1
O=C1NC(CCC1N1C(N(C2=C1C=CC(=C2)CN2CCC(CC2)CC(=O)OC(C)(C)C)C)=O)=O>>O=C1NC(CCC1N1C(N(C2=C1C=CC(=C2)CN2CCC(CC2)CC(=O)O)C)=O)=O
5
[CH2:1]([CH:7]1O[C:11](=O)[CH2:10][CH2:9][CH2:8]1)CCCCC.C(NC(C)C)(C)C.C([Li])CCC.CCCCCC.[C:32]1([Se:38]Cl)[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1>>[C:32]1([Se:38][C:11]2[CH:10]=[CH:9][CH:8]=[CH:7][CH:1]=2)[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1
2
[CH3:1][O:2][C:3](=[O:24])[C:4]1[CH:9]=[C:8]([N:10]2[CH:14]=[C:13]([C:15]#[N:16])[N:12]=[CH:11]2)[C:7]([C:17]([F:20])([F:19])[F:18])=[CH:6][C:5]=1[N+:21]([O-])=O>CO.[Pd]>[CH3:1][O:2][C:3](=[O:24])[C:4]1[CH:9]=[C:8]([N:10]2[CH:14]=[C:13]([C:15]#[N:16])[N:12]=[CH:11]2)[C:7]([C:17]([F:18])([F:19])[F:20])=[CH:6][C:5]=1[NH2...
1
O=C1C[C@@H](CN1C1=CC=C(C=C1)C)C(=O)O>C1(=CC=CC=C1)C.O.C1CCCO1.[N-]=[N+]=[N-].[Na+].CN1CCOCC1.C(C(C)C)OC(=O)Cl>O=C1C[C@@H](CN1C1=CC=C(C=C1)C)NC(OC(C)(C)C)=O
3
COC1=NC2=CC(=CC=C2C(=N1)N1C[C@@H](CC1)NC(OC(C)(C)C)=O)[N+](=O)[O-]>CO[H].[HH].[Pd]>NC1=CC=C2C(=NC(=NC2=C1)OC)N1C[C@@H](CC1)NC(OC(C)(C)C)=O
3
O=[CH:2][C@@H:3]([C@H:5]([C@@H:7]([CH2:9][OH:10])[OH:8])[OH:6])[OH:4].[CH:11]([NH2:14])([CH3:13])[CH3:12].[Cl:15][CH2:16][CH2:17][N:18]=[C:19]=[O:20]>>[Cl:15][CH2:16][CH2:17][NH:18][C:19]([N:14]([CH:11]([CH3:13])[CH3:12])[CH:9]1[O:10][CH2:2][C@@H:3]([OH:4])[C@H:5]([OH:6])[C@H:7]1[OH:8])=[O:20]
1
[C:1]([NH:5][CH2:6][CH:7]([OH:28])[CH2:8][O:9][C:10]1[CH:19]=[CH:18][C:13]([C:14]([O:16]C)=[O:15])=[CH:12][C:11]=1[C:20](=[O:27])[CH2:21][CH2:22][C:23]([O:25]C)=[O:24])([CH3:4])([CH3:3])[CH3:2].[OH-].[Na+]>C(O)(=O)C>[C:1]([NH:5][CH2:6][CH:7]([OH:28])[CH2:8][O:9][C:10]1[CH:19]=[CH:18][C:13]([C:14]([OH:16])=[O:15])=[CH:1...
1
C(CCCCCCC\C=C/C\C=C/CCCCC)Br>>C(CCCCCCCC\C=C/C\C=C/CCCCC)=O
5
ClC=1C=CC(=C(C(=O)NN2C(=CC=C2)C(=O)N)C1)F>N>ClC=1C=CC(=C(C1)C1=NN2C(C(N1)=O)=CC=C2)F
3
COC1C=CC(/C=[C:16]2/[C:17]([NH:19][C:20]([S:22]/2)=[NH:21])=[O:18])=CC=1OC1CCCC1.C(O[Na])(C)=O.[CH:28]([C:30]1[N:31]=[C:32]2[C:37](=[CH:38][CH:39]=1)[N:36]=[CH:35][C:34]([C:40]#[N:41])=[C:33]2[O:42][CH:43]([CH3:45])[CH3:44])=O>CC(O)=O>[NH2:21][C:20]1[S:22][C:16](=[CH:28][C:30]2[N:31]=[C:32]3[C:37](=[CH:38][CH:39]=2)[N:...
1
C1(=CC=CC=C1)C=O.C1C(=O)COC1=O>CCCCCC>C(C1=CC=CC=C1)=C1C(OCC1=O)=O
3
OC1(CC1)C(=O)O.Cl.ClC1=CC(=C(C=C1)C1=CC(=C(C=C1)C(=O)N1CCNCC1)F)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>ClC1=CC(=C(C=C1)C1=CC(=C(C=C1)C(=O)N1CCN(CC1)C(=O)C1(CC1)O)F)F
3
Br[C:2]1[C:11]([O:12][CH3:13])=[CH:10][CH:9]=[C:8]2[C:3]=1[CH:4]=[CH:5][CH:6]=[N:7]2.[NH:14]1[CH2:19][CH2:18][NH:17][CH2:16][CH2:15]1.P(C(C)(C)C)(C(C)(C)C)C(C)(C)C.CC(C)([O-])C.[Na+]>C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].O.CC1C=CC=CC=1C>[CH3:13][O:12][C:11]1[C:2]([N:14]2[C...
1
CC1=NOC(=C1C(=O)Cl)C.NC=1C=CC(=C(C#N)C1)N1CCN(CC1)C(C1=C(C=CC=C1)C)C1=CC=CC=C1>CCN(CC)CC>C(#N)C=1C=C(C=CC1N1CCN(CC1)C(C1=CC=CC=C1)C1=C(C=CC=C1)C)NC(=O)C=1C(=NOC1C)C
3
C(C=C)[Mg]Br>CC(=O)C.[Cl-].[NH4+]>CC(C)(CC=C)O
3
NC1(CCOCC1)CO.FC(OC=1C=C2C(=NN(C2=CC1)C)C=1N=C2C(=NC1)N(C=C2C(=O)O)COCC[Si](C)(C)C)F>N(C)(C)C=O.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>FC(OC=1C=C2C(=NN(C2=CC1)C)C=1N=C2C(=NC1)N(C=C2C(=O)NC2(CCOCC2)CO)COCC[Si](C)(C)C)F
3
O[C@H]1CN(C[C@H]1COS(=O)(=O)C)C(=O)OC(C)(C)C.C(CCCC#C)S.C(CCCC#C)SC[C@H]1CN(C[C@@H]1O)C(=O)OC(C)(C)C>>C(CCCC#C)SC[C@@H]1[C@H](CNC1)O
5
BrC1=C(C=CC=C1)OC(C([2H])([2H])Br)([2H])[2H]>O.C1CCCO1.C(CCC)[Li].CCCCCC.CCCC(C)C.CCC(C)CC>O1C(C(C2=C1C=CC=C2)([2H])[2H])([2H])[2H]
3
[F:1][CH:2]([F:22])[C:3]1[NH:7][C:6]2[CH:8]=[C:9]([NH:14][C:15](=[O:21])[O:16][C:17]([CH3:20])([CH3:19])[CH3:18])[CH:10]=[C:11]([O:12][CH3:13])[C:5]=2[N:4]=1.Cl[C:24]1[N:29]=[C:28]([N:30]2[CH2:35][CH2:34][O:33][CH2:32][CH2:31]2)[CH:27]=[C:26]([Cl:36])[N:25]=1.C([O-])([O-])=O.[K+].[K+].C(Cl)Cl.CCOC(C)=O>CN(C=O)C.O>[Cl:3...
1
[CH3:1][O:2][N:3]=[C:4]([C:10]([CH2:12]Cl)=O)[C:5]([O:7][CH2:8][CH3:9])=[O:6].[NH2:14][C:15]([NH2:17])=[S:16].C([O-])(=O)C.C(=O)(O)[O-].[Na+]>CO.O>[CH3:1][O:2][N:3]=[C:4]([C:10]1[N:14]=[C:15]([NH2:17])[S:16][CH:12]=1)[C:5]([O:7][CH2:8][CH3:9])=[O:6]
1
C(OP(C[C:10]1[CH:15]=[CH:14][C:13]([NH:16][C:17]2[N:22]=[C:21]([Cl:23])[C:20]([C:24]([F:27])([F:26])[F:25])=[CH:19][N:18]=2)=[C:12]([O:28][CH3:29])[CH:11]=1)(=O)OCC)C.ClC1N=C(Cl)C(C(F)(F)F)=CN=1.COC1C=CC=CC=1N>>[Cl:23][C:21]1[C:20]([C:24]([F:27])([F:25])[F:26])=[CH:19][N:18]=[C:17]([NH:16][C:13]2[CH:14]=[CH:15][CH:10]=...
1
C(C)C1=C(C=CC=C1B1OC(C(O1)(C)C)(C)C)C1CCNCC1.BrC=1C=NC(=NC1)C1=CC(=C(C=C1)OC(C)C)Cl>>ClC=1C=C(C=CC1OC(C)C)C1=NC=C(C=N1)C1=C(C(=CC=C1)C1CCNCC1)CC
5
[N+](=O)([O-])C=1C=NC(=NC1)NC(C)=O>>NC=1C=NC(=NC1)NC(C)=O
5
C1(=CC=CC=C1)C1=C(C=C2C=CC=CN12)C(C)O>>N(=[N+]=[N-])C(C)C=1C=C2C=CC=CN2C1C1=CC=CC=C1
5
[Cl:1][C:2]1[CH:7]=[CH:6][N:5]=[C:4]([NH2:8])[C:3]=1[C:9]1[CH:14]=[CH:13][C:12]([O:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)=[CH:11][CH:10]=1.[H-].[Na+].Cl[CH2:25][CH2:26][S:27](Cl)(=[O:29])=[O:28].O>C1COCC1.CCCCCC>[Cl:1][C:2]1[CH:7]=[CH:6][N:5]2[C:4](=[N:8][S:27](=[O:29])(=[O:28])[CH2:26][CH2:25]2)[C:3]=1[C:9...
1
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[N:9]([CH2:23][C@H:24]([OH:29])[C:25]([F:28])([F:27])[F:26])[C:10](=[O:22])[N:11]([CH2:13][C:14]3[N:18]=[C:17]([CH:19]([OH:21])[CH3:20])[NH:16][N:15]=3)[N:12]=2)=[CH:4][CH:3]=1.[Cl:30][C:31]1[CH:32]=[C:33](B(O)O)[CH:34]=[CH:35][C:36]=1[F:37]>N1C=CC=CC=1.C([O-])(=O)C.[Cu+2].C([O-])(=...
2
[CH3:1][C:2]([CH3:19])([CH3:18])[C:3]([NH:5][C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=1[C:12]1[N:17]=[CH:16][CH:15]=[CH:14][N:13]=1)=[O:4].[Br:20]Br>C(O)(=O)C.[O-]S([O-])(=S)=O.[Na+].[Na+]>[Br:20][C:9]1[CH:10]=[CH:11][C:6]([NH:5][C:3](=[O:4])[C:2]([CH3:19])([CH3:18])[CH3:1])=[C:7]([C:12]2[N:13]=[CH:14][CH:15]=[CH:16][N:1...
1
[Cl:1][C:2]1[N:7]=[C:6]([NH:8][C@H:9]2[CH2:14][CH2:13][C@H:12]([NH:15][C:16](=[O:22])[O:17][C:18]([CH3:21])([CH3:20])[CH3:19])[CH2:11][CH2:10]2)[CH:5]=[C:4]([C:23]2[C:31]3[C:26](=[N:27][CH:28]=[C:29]([O:32][CH2:33][C:34]#[CH:35])[CH:30]=3)[N:25](S(C3C=CC=CC=3)(=O)=O)[CH:24]=2)[CH:3]=1.[OH-].[Na+]>O1CCOCC1>[Cl:1][C:2]1[...
1
IC1=C(C=C(C=C1)N1C(O[C@H](C1)CNC(C)=O)=O)F.C[Sn](C1=CC=C(C=C1)C1=NOC(C1)CN1N=NC=C1)(C)C>O1CCOCC1.[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.O1C(=CC=C1)P(C=1OC=CC1)C=1OC=CC1>FC1=C(C=CC(=C1)N1C(O[C@H](C1)CNC(C)=O)=O)C1=CC=C(C=C1)C1=NOC(C1)CN1N=NC=C1
3
[CH2:1]([CH:3]([C:6]1[CH:7]=[C:8]([CH:12]=[C:13]([O:15][CH3:16])[N:14]=1)[C:9]([OH:11])=O)[CH2:4][CH3:5])[CH3:2].[CH2:17]([C:19]1[CH:20]=[C:21]([CH:26]=[C:27]([CH3:34])[C:28]=1[NH:29][S:30]([CH3:33])(=[O:32])=[O:31])[C:22]([NH:24]O)=[NH:23])[CH3:18]>>[CH2:17]([C:19]1[CH:20]=[C:21]([C:22]2[N:24]=[C:9]([C:8]3[CH:12]=[C:1...
1
C1(=CC=CC=C1)S(=O)(=O)C=C1COC1.CN1N=CC2=CC=C(C(=C12)C1=C(C(=NC=2CNCCC12)N1CC2(CN(C2)C(=O)OC(C)(C)C)CC1)C)C>CO[H]>CN1N=CC2=CC=C(C(=C12)C1=C(C(=NC=2CN(CCC12)C1(COC1)CS(=O)(=O)C1=CC=CC=C1)N1CC2(CN(C2)C(=O)OC(C)(C)C)CC1)C)C
3
Br[C:2]1[C:3]2[N:4]([N:8]=[C:9]([Cl:11])[N:10]=2)[CH:5]=[CH:6][CH:7]=1.[CH3:12][S:13]([C:16]1[CH:17]=[C:18]([CH:21]=[CH:22][CH:23]=1)[CH2:19][NH2:20])(=[O:15])=[O:14]>>[Cl:11][C:9]1[N:10]=[C:3]2[C:2]([NH:20][CH2:19][C:18]3[CH:21]=[CH:22][CH:23]=[C:16]([S:13]([CH3:12])(=[O:15])=[O:14])[CH:17]=3)=[CH:7][CH:6]=[CH:5][N:4]...
1
CC(=O)C1=CC(=C(C(=C1)OC)OC)OC.C1(=CC=CC=C1)C=1SC=C(N1)C(=O)C1=CC(=C(C(=C1)OC)OC)OC>>BrCC(=O)C1=CC=CC=C1
5
[F:1][C:2]([C:5]1[N:10]=[N:9][C:8]([O:11][CH3:12])=[C:7]([CH2:13][OH:14])[CH:6]=1)([F:4])[CH3:3].CCN(C(C)C)C(C)C.[CH3:24][S:25](Cl)(=[O:27])=[O:26]>ClCCl.O>[CH3:24][S:25]([O:14][CH2:13][C:7]1[CH:6]=[C:5]([C:2]([F:4])([F:1])[CH3:3])[N:10]=[N:9][C:8]=1[O:11][CH3:12])(=[O:27])=[O:26]
2
OC1CC[N:5]([C:8]([NH:10][C:11]2[NH:15][C:14]3[CH:16]=[CH:17][C:18]([O:20][S:21]([C:24]4[CH:29]=[CH:28][C:27]([N:30]5[CH2:35][CH2:34][CH:33]([OH:36])[CH2:32][CH2:31]5)=[CH:26][CH:25]=4)(=[O:23])=[O:22])=[CH:19][C:13]=3[N:12]=2)=[O:9])[CH2:4][CH2:3]1.NC[CH:39]1[O:44][CH2:43][CH2:42][NH:41][CH2:40]1>O1CCCC1.CN1CCCC1=O>[N:...
1
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:25]CC2C=CC=CC=2)=[C:6]([CH2:8][N:9]2[C:13]([CH3:14])=[CH:12][C:11]([C:15]([NH:17][CH2:18][C:19]3[CH:24]=[CH:23][CH:22]=[CH:21][N:20]=3)=[O:16])=[N:10]2)[CH:7]=1.C(=O)([O-])[O-].[K+].[K+]>Br.C(O)(=O)C.CCOCC.O>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([OH:25])=[C:6]([CH2:8][N:9]2[C:13]([CH3:14])=[C...
2
C(OC([N:8]([CH2:27][CH2:28][O:29][C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=1[O:36][CH2:37][CH3:38])[CH:9]([CH3:26])[CH2:10][C:11]1[CH:12]=[C:13]2[C:17](=[C:18]([C:20]([NH2:22])=[O:21])[CH:19]=1)[N:16]([CH2:23][CH2:24][OH:25])[CH2:15][CH2:14]2)=O)(C)(C)C.C(N(CC)CC)C.[C:46](OC(=O)C)(=[O:48])[CH3:47]>C(Cl)Cl>[C:46]([O:2...
1
C(C)N1C=NC=C1C(C=1C=C(C#N)C=CC1)O>ClCCl.[O-2].[O-2].[Mn+4]>C(C)N1C=NC=C1C(=O)C=1C=C(C#N)C=CC1
3
Cl.CN.COC1=CC=C(C=C1)C1=NC2=CC=C(C=C2N=C1C1=CC=C(C=C1)OC)S(=O)(=O)O>>COC1=CC=C(C=C1)C1=NC2=CC=C(C=C2N=C1C1=CC=C(C=C1)OC)S(=O)(=O)NC
5
[Br-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.BrC=1C=C2C(CC(OC2=C(C1)C=O)(C)C)(C)C>>BrC=1C=C2C(CC(OC2=C(C1)C=C)(C)C)(C)C
5
C(C1=CC=CC=C1)OC1=CC=C(CCl)C=C1.OC=1C=C2C=CC=NC2=CC1>CC(C)(C)[O-].[K+].CS(=O)C>C(C1=CC=CC=C1)OC1=CC=C(COC=2C=C3C=CC=NC3=CC2)C=C1
3
ClC1=C(OC2CCN(CC2)C)C=CC(=C1)B1OC(C(O1)(C)C)(C)C.OCC[C@H](C1=CC=CC=C1)NC(=O)C=1C=C2C(=NNC2=CC1)I>C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C1(=CC=CC=C1)C.C(C)O>ClC=1C=C(C=CC1OC1CCN(CC1)C)C1=NNC2=CC=C...
3
C(C)(C)N=C=O.C(CC(=O)Cl)(=O)Cl.C(C)(C)(C)C1=CC=C(CN)C=C1>>CC(C)(C)C1=CC=C(C=C1)CN1C(N(C(CC1=O)=O)C(C)C)=O
5
C(C)(C)(C)N1S(C=CC1=O)(=O)=O.BrC=1C=C(C=CC1I)C[C@@H](C=1N(C(=CN1)C1=CC=CC=C1)COCC[Si](C)(C)C)NC(OC(C)(C)C)=O>>BrC=1C=C(C=CC1C1=CC(N(S1(=O)=O)C(C)(C)C)=O)C[C@@H](C=1N(C(=CN1)C1=CC=CC=C1)COCC[Si](C)(C)C)NC(OC(C)(C)C)=O
5
Cl.N1=C(C=CC=C1)CCl.FC1=C(C(=C(C(=C1S)F)F)F)F>CCO[H].[OH-].[Na+]>Cl.FC1=C(C(=C(C(=C1SCC1=NC=CC=C1)F)F)F)F
3
FC1=CC=C(C=O)C=C1.C(C)OC(C=NC#N)=O>CC#N.C1CCC2=NCCCN2CC1>C(C)OC(C(C(O)C1=CC=C(C=C1)F)=NC#N)=O
3
[CH3:1][C:2]1[CH:10]=[C:9]([CH3:11])[CH:8]=[CH:7][C:3]=1[C:4](O)=[O:5].C(Cl)(=O)C([Cl:15])=O>ClCCl.CN(C=O)C>[CH3:1][C:2]1[CH:10]=[C:9]([CH3:11])[CH:8]=[CH:7][C:3]=1[C:4]([Cl:15])=[O:5]
1
C(OC(C)(C)C)(OC(C)(C)C)=O.C1[C@H](C(=O)NO1)N>O.C1CCCO1.CCN(CC)CC>O=C1NOC[C@H]1NC(OC(C)(C)C)=O
3
[CH3:1][C:2]1[CH:21]=[CH:20][C:5]([CH2:6][N:7]2[CH2:11][CH2:10][C@@H:9]([NH:12]C(=O)OC(C)(C)C)[CH2:8]2)=[CH:4][CH:3]=1.Cl>C(OCC)(=O)C>[CH3:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:6][N:7]2[CH2:11][CH2:10][C@@H:9]([NH2:12])[CH2:8]2)=[CH:20][CH:21]=1
1
C[C@H]1[C@H](CCCC1)NC1=C2C(=NC=C1C(=O)O)NC=C2>CCN(CC)CC.C(C)(C)(C)O.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>C[C@H]1[C@H](CCCC1)N1C(NC=2C1=C1C(=NC2)NC=C1)=O
3
C(=O)(OC)C(CC(=O)OC)CC1=C(C=C(C=C1)OC)CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C>C(Cl)(Cl)(Cl)[H].C(=O)(C(F)(F)F)O>C(=O)(OC)C(CC(=O)OC)CC1=C(C=C(C=C1)OC)CN
3
[OH:1][C:2]1[CH:7]=[CH:6][NH:5][C:4](=[O:8])[CH:3]=1.CS(O[CH:14]1[CH2:19][CH2:18][N:17]([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[CH2:16][CH2:15]1)(=O)=O.C([O-])([O-])=O.[K+].[K+].CS(C)=O>O.C(Cl)Cl.CO>[O:8]=[C:4]1[CH:3]=[C:2]([O:1][CH:14]2[CH2:19][CH2:18][N:17]([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3...
1
[F:1][C:2]1[N:3]([C:11]([C:24]2[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=2)([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH:4]=[C:5]([CH2:7][CH2:8][CH2:9][OH:10])[N:6]=1.[CH3:30][S:31](Cl)(=[O:33])=[O:32]>N1C=CC=CC=1>[F:1][C:2]1[N:3]([C:11]([C:24]2[CH:29]=[CH:28][CH:27]=[CH...
1
C(C)(C)(C)OC(N[C@@H]1C[C@H](C1)N1C(C(C=2C1=NC=C(C2)F)(F)F)=O)=O>>Cl.N[C@@H]1C[C@H](C1)N1C(C(C=2C1=NC=C(C2)F)(F)F)=O
5
FC(F)(F)C(O)=O.FC(F)(F)C(O)=O.[NH:15]1[CH2:20][CH2:19][CH:18]([O:21][C:22]2[CH:27]=[CH:26][C:25]([NH:28][C:29]([CH:31]3[CH2:34][N:33]([C:35]4[CH:36]=[N:37][CH:38]=[CH:39][CH:40]=4)[CH2:32]3)=[O:30])=[CH:24][CH:23]=2)[CH2:17][CH2:16]1.[CH:41]1([CH:44]=O)[CH2:43][CH2:42]1.C(O)(=O)C.C([BH3-])#N>CO>[CH:41]1([CH2:44][N:15]2...
1
[Br:1][C:2]1[CH:3]=[C:4]([N+:12]([O-:14])=[O:13])[C:5](C)=[C:6]([CH:10]=1)[C:7]([OH:9])=[O:8].IC.[C:17](=O)([O-])[O-].[Na+].[Na+]>CN(C=O)C>[Br:1][C:2]1[CH:10]=[C:6]([CH:5]=[C:4]([N+:12]([O-:14])=[O:13])[CH:3]=1)[C:7]([O:9][CH3:17])=[O:8]
1
C(C)OC(C1=CN=C(C=C1Cl)Cl)=O.BrC1=CC(=C(N)C=C1)C>C1CCCO1.C1CCCCC1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].C(C)(=O)OCC>C(C)OC(C1=CN=C(C=C1NC1=C(C=C(C=C1)Br)C)Cl)=O
3
C(=O)([O-])[O-].[K+].[K+].[Br:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1B(O)O.Br[C:18]1[CH:23]=[CH:22][C:21]([C:24]([CH3:27])([CH3:26])[CH3:25])=[CH:20][CH:19]=1.N#N.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>C([O-])(=O)C.[Pd+2].C([O-])(=O)C.COCCOC.O>[Br:7][C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[C:18]1[CH:23]=[CH:22...
1
[CH2:1]([N+:5]([CH2:14][CH2:15][CH2:16][CH3:17])([CH2:10][CH2:11][CH2:12][CH3:13])[CH2:6][CH2:7][CH2:8][CH3:9])[CH2:2][CH2:3][CH3:4].Cl[CH2:19][CH2:20][CH2:21][CH2:22][S:23]([O-:26])(=[O:25])=[O:24].[CH2:27]([NH:29][CH2:30][CH3:31])[CH3:28]>C1COCC1>[CH2:14]([N+:5]([CH2:1][CH2:2][CH2:3][CH3:4])([CH2:6][CH2:7][CH2:8][CH3...
1
[C:1]1([CH2:7][CH2:8][C:9]([OH:11])=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C([N:19]1[CH2:24][CH2:23][NH:22][C@H:21]([CH2:25][C:26]2[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=2)[CH2:20]1)C1C=CC=CC=1.CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1>ClCCl.C(OCC)C>[CH2:25]([C@@H:21]1[CH2:20][NH:19][CH2:24][CH2:23][N:22]1[C:9](=[O:11])[CH2:8]...
2
[C:1]1([C:7]2[CH:8]=[N:9][N:10]([C:12]3[N:17]=[CH:16][C:15]([NH:18][CH:19]([C:23]4[CH:37]=[CH:36][C:26]([C:27]([NH:29][CH2:30][CH2:31][C:32]([O:34]C)=[O:33])=[O:28])=[CH:25][CH:24]=4)[CH2:20][CH2:21][CH3:22])=[CH:14][CH:13]=3)[CH:11]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[OH-].[Na+]>CO.O1CCCC1>[C:1]1([C:7]2[CH:8]=[N:9][...
1
BrC1=NN2C(CC(CC2)C(=O)OC)=N1>O.CO[H].[OH-].[Na+]>BrC1=NN2C(CC(CC2)C(=O)O)=N1
3
ClC=1C(=CC(=NC1)NC1=CC(=NN1C(C)C)C)NC1=C(C#N)C=C(C=C1)F>[OH-].[Na+].O1CCOCC1>ClC=1C(=CC(=NC1)NC1=CC(=NN1C(C)C)C)NC1=C(C(=O)O)C=C(C=C1)F
3
C1(=CC=CC=C1)B(O)O.BrC=1N=C(N2C1C=NC1=C2C=CN1S(=O)(=O)C1=CC=C(C)C=C1)C1CCCCC1>O.C1CCCO1.Cl.[OH-].[Na+].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]>C1(CCCCC1)C1=NC(=C2N1C1=C(N=C2)NC=C1)C1=CC=CC=C1
3
CC=1C=C(N)C=CC1C.O1CC(=CC2=CC=C(C=C12)O)C1=CC=C(C=C1)O>>CC=1C=C(C=CC1C)N1COC2=C(C1)C=C1C=C(COC1=C2)C2=CC=C(C=C2)O
5
[CH:1]1[N:5]([C@@H:6]2[O:10][C@H:9]([CH2:11][OH:12])[C@@H:8]([OH:13])[C@H:7]2[OH:14])[N:4]=[C:3]([C:15]([NH2:17])=[O:16])[N:2]=1.O.P(Cl)(Cl)(Cl)=O.[P:24](OC)([O:28]C)([O:26]C)=[O:25]>>[CH:1]1[N:5]([C@@H:6]2[O:10][C@H:9]([CH2:11][O:12][P:24]([OH:28])([OH:26])=[O:25])[C@@H:8]([OH:13])[C@H:7]2[OH:14])[N:4]=[C:3]([C:15]([N...
1
C(C1=CC=CC=C1)[C@H]1N=C2C=3NC(=NC3N=C(N2C1)Cl)C1CCCC1.CSC(CO)C>C1CCCO1.[H-].[Na+]>C(C1=CC=CC=C1)[C@H]1N=C2C=3NC(=NC3N=C(N2C1)OCCCSC)C1CCCC1
3
P(Br)(Br)[Br:2].CN(C)[CH:7]=[O:8].[Cl:10][C:11]1[CH:20]=[C:19]2[C:14]([CH2:15][CH2:16][C:17](=O)[CH2:18]2)=[CH:13][CH:12]=1.C(=O)(O)[O-].[Na+]>C(Cl)(Cl)Cl>[Br:2][C:17]1[CH2:16][CH2:15][C:14]2[C:19](=[CH:20][C:11]([Cl:10])=[CH:12][CH:13]=2)[C:18]=1[CH:7]=[O:8]
2
BrC1=NC=CC=C1[N+](=O)[O-].OC1=C(C(N(C2=CC=CC=C12)NCC(C)C)=O)C1=NS(C2=C(N1)C=CC(=C2)O)(=O)=O>>OC1=C(C(N(C2=CC=CC=C12)NCC(C)C)=O)C1=NS(C2=C(N1)C=CC(=C2)OC2=NC=CC=C2[N+](=O)[O-])(=O)=O
5
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][C:10]([C:12]2[S:19][C:18]([CH3:20])=[C:17]3[C:13]=2[CH2:14][C@H:15]2[C:21]([CH3:23])([CH3:22])[C@H:16]23)=[O:11])=[C:4]([O:24][CH3:25])[CH:3]=1.[CH2:26]([CH:28]1[O:30][CH2:29]1)Cl>C(O)(C)C.[OH-].[Na+].C(OCC)C>[CH3:25][O:24][C:4]1[CH:3]=[C:2]([O:1][CH2:26][CH:28]2[CH2:29][O:...
1
[O:1]1[CH2:3][C@@H:2]1[CH2:4][O:5][C:6]1[CH:15]=[CH:14][CH:13]=[C:12]2[C:7]=1[CH:8]=[CH:9][CH:10]=[N:11]2.[Cl:16][C:17]1[CH:25]=[C:24]2[C:20]([CH:21]=[C:22](C3CCNCC=3)[NH:23]2)=[CH:19][CH:18]=1.[CH2:32](O)[CH3:33]>CS(C)=O>[Cl:16][C:17]1[CH:25]=[C:24]2[C:20]([C:21]([C:8]3[CH2:9][CH2:10][N:11]([CH2:3][C@@H:2]([OH:1])[CH2...
1
O[C@H]1CCOC2=CC(=CC=C12)C#N>>N(=[N+]=[N-])[C@@H]1CCOC2=CC(=CC=C12)C#N
5
COC1=CC=C(C=C1)C=1N=C(NC1C1=CC=C(C=C1)OC)SC1=C(C=CC=C1)OC>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>COC1=CC=C(C=C1)C=1N=C(NC1C1=CC=C(C=C1)OC)S(=O)C1=C(C=CC=C1)OC
3