Datasets:
Derify
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ReactionSmiles

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xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
FC(C(CC(C)(C)C1=C(C=C(C=C1)Cl)OC)(O)C=NC1=C2C=NC(=NC2=C(C=C1)F)C)(F)F>ClCCl.B(Br)(Br)Br>ClC1=CC(=C(C(NC2=C3C=NC(=NC3=C(C=C2)F)C)C(C(F)(F)F)(CC(=C)C)O)C=C1)OC
3
CN(C([O:8]N1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[NH2:25][C@H:26]([CH2:30][C@H:31]([NH:47][C:48]([C:50]1[N:51]=[N:52][NH:53][CH:54]=1)=[O:49])[CH2:32][C:33]1[CH:38]=[CH:37][C:36]([C:39]2[CH:44]=[C:43]([Cl:45])[CH:42]=[CH:41][C:40]=2[F:46])=[CH:35][CH:34]=1)[C:27]([OH:29])=[O:28].[CH3:55][CH2:56][N:57](C(C)C)C...
2
C(C)(C)(C)OC(=O)NC[C@@H]1CC[C@H](CC1)C(=O)N[C@@H](CC1=CC=C(C=C1)C1=C(C=CC=C1)C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)C(NC1=CC=C(C=C1)C=1N=NNN1)=O>Cl.O1CCOCC1>Cl.NC[C@@H]1CC[C@H](CC1)C(=O)N[C@@H](CC1=CC=C(C=C1)C=1C(=CC=CC1)C(=O)NC1CCNCC1)C(NC1=CC=C(C=C1)C=1N=NNN1)=O
3
CSCCN1C(=NC2=C1C=CC=C2)CN2N=NC1=C2C=CC=C1>C(C)(=O)O.B1(OO1)[O-].O.O.O.O.[Na+]>CS(=O)CCN1C(=NC2=C1C=CC=C2)CN2N=NC1=C2C=CC=C1
3
FC1=C(C=C(C=C1)S(=O)(=O)Cl)OC.ClC=1C=C(C=CC1)C1=CC2=C(O[C@H](CN2)CCC(=O)OC)C=C1>ClCCl.c1ccncc1.Cl.[HH]>ClC=1C=C(C=CC1)C1=CC2=C(O[C@H](CN2S(=O)(=O)C2=CC(=C(C=C2)F)OC)CCC(=O)OC)C=C1
3
COC(C1=C(C(=CC=C1)[N+](=O)[O-])NC)=O>>NC=1C(=C(C(=O)OC)C=CC1)NC
5
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:17][OH:18])[CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[H-].[Na+].[C:21](=[S:23])=S.CI.[NH4+:26].[OH-]>>[C:21]([O:18][CH2:17][C@@H:9]([CH2:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[NH:8][C:6]([O:5][C:1]([CH3:3])([CH3:4])[CH3:2])=[...
1
[CH2:1]([Li])[CH2:2][CH2:3][CH3:4].[C:6]([C:8]1[CH:22]=[CH:21][C:11]([CH2:12]P(=O)(OCC)OCC)=[C:10]([F:23])[CH:9]=1)#[N:7].Cl.C(=O)([O-])[OH:26].[Na+]>O1CCCC1>[F:23][C:10]1[CH:9]=[C:8]([CH:22]=[CH:21][C:11]=1/[CH:12]=[CH:4]/[CH:3]=[CH:2]/[CH:1]=[O:26])[C:6]#[N:7]
1
C(C=C)(=O)OC(C)(C)C.BrC1=CC=C(C=O)C=C1>N(C)(C)C=O.c3c(P(c1ccccc1)c2ccccc2)cccc3.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CCN(CC)CC.C(O)([O-])=O.[Na+]>C(C)(C)(C)OC(C=CC1=CC=C(C=C1)C=O)=O
3
OCCOCCNC1CC\C=C/CCC1O>CC#N.C(C)OCC.CCN(CC)CC.C1CC(=O)N(C1=O)OC(=O)ON2C(=O)CCC2=O>OCCOCCN1C(OC2C1CC\C=C/CC2)=O
3
CI.COC1=CC=C(C=C1)CCC(C(=O)O)CO>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>COC(C(CCC1=CC=C(C=C1)OC)CO)=O
3
ClC=1C=CC(=C(C1)/C=C/C(=O)C1=C(C=CC=C1)O)OCC>O(O[H])[H].CCO[H].[OH-].[K+]>ClC=1C=CC(=C(C1)C=1OC2=CC=CC=C2C(C1O)=O)OCC
3
Cl.CNC.COC(C1=C(C=CC(=C1)F)S(=O)(=O)C)=O>C([O-])([O-])=O.[K+].[K+].CS(=O)C>COC(C1=C(C=CC(=C1)N(C)C)S(=O)(=O)C)=O
3
O1CCC(=CC1)C=1N(C2=NC(=NC(=C2N1)N1CCOCC1)N1N=C(C=C1)C=1C=NC=CC1)C>CO[H].[HH].C(C)(=O)OCC.[Pd]>CN1C2=NC(=NC(=C2N=C1C1CCOCC1)N1CCOCC1)N1N=C(C=C1)C=1C=NC=CC1
3
C(CCCC)C1CC=C(CC1)C1=C(C(=CC=C1)F)F>C1(=CC=CC=C1)C.[HH].[Pd]>C(CCCC)C1CCC(CC1)C1=C(C(=CC=C1)F)F
3
N[C:2]1[CH:10]=[C:9]2[C:5]([CH2:6][O:7][C:8]2=[O:11])=[CH:4][CH:3]=1.N([O-])=O.[Na+].[BrH:16]>O.[Cu]Br>[Br:16][C:2]1[CH:10]=[C:9]2[C:5]([CH2:6][O:7][C:8]2=[O:11])=[CH:4][CH:3]=1
1
N1C(C)=CC=CC=1C.I([O-])(=O)(=O)=O.[Na+].[F:15][C:16]1[CH:21]=[C:20]([I:22])[CH:19]=[CH:18][C:17]=1[NH:23][C:24]1[C:25]([NH:35][S:36]([C:39]2([CH2:42][CH:43]=C)[CH2:41][CH2:40]2)(=[O:38])=[O:37])=[C:26]2[O:34][CH2:33][CH2:32][N:27]2[C:28](=[O:31])[C:29]=1[CH3:30].C[OH:46]>O1CCOCC1.O.C(Cl)Cl.[Os](=O)(=O)(=O)=O>[F:15][C:1...
1
[CH2:1]([CH2:3][NH2:4])[OH:2].[C:5]([Si:9]([CH3:32])([CH3:31])[O:10][C@H:11]([C:24]1[CH:25]=[N:26][C:27]([Cl:30])=[CH:28][CH:29]=1)[CH2:12]OS(C1C=CC(C)=CC=1)(=O)=O)([CH3:8])([CH3:7])[CH3:6].C(N(C(C)C)CC)(C)C.C(OCC)(=O)C>CS(C)=O>[C:5]([Si:9]([CH3:31])([CH3:32])[O:10][CH:11]([C:24]1[CH:25]=[N:26][C:27]([Cl:30])=[CH:28][C...
1
ClC1C=C(C=CC=1)C(OO)=[O:6].[Cl:12][C:13]1[CH:22]=[CH:21][C:20]2[CH2:19][N:18]([C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:17][CH2:16][C:15]=2[N:14]=1>C(Cl)(Cl)Cl>[C:26]([O:25][C:23]([N:18]1[CH2:17][CH2:16][C:15]2[N+:14]([O-:6])=[C:13]([Cl:12])[CH:22]=[CH:21][C:20]=2[CH2:19]1)=[O:24])([CH3:29])([CH3:28]...
1
N1C[C@H](CCC1)NC(OC(C)(C)C)=O.ClC1=CC(=NC=2N1N=C(C2)CC2=CC=C(C=C2)Cl)C>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+].C(C)(=O)OCC>ClC1=CC=C(CC2=NN3C(N=C(C=C3N3C[C@H](CCC3)NC(OC(C)(C)C)=O)C)=C2)C=C1
3
ClC1=CC(=C(C=C1)/C=C/C(=O)OC)C(F)(F)F>>ClC1=CC(=C(C=C1)CCC(=O)OC)C(F)(F)F
5
[Br:1][C:2]1[C:3](Cl)=[N:4][CH:5]=[C:6]([CH:22]=1)[C:7]([NH:9][C:10]1[CH:15]=[CH:14][C:13]([S:16]([F:21])([F:20])([F:19])([F:18])[F:17])=[CH:12][CH:11]=1)=[O:8].[NH:24]1[CH2:28][CH2:27][C@@H:26]([OH:29])[CH2:25]1>>[Br:1][C:2]1[C:3]([N:24]2[CH2:28][CH2:27][C@@H:26]([OH:29])[CH2:25]2)=[N:4][CH:5]=[C:6]([CH:22]=1)[C:7]([N...
1
C(C1=CC=CC=C1)N1[C@H]([C@@H](OCC1=O)C)C(=O)OCC>C1CCCO1>C(C1=CC=CC=C1)N1[C@H]([C@@H](OCC1)C)C(=O)OCC
3
FC1=C(C=C(C(=C1)C)C1=CC2=C(N=C(N=C2)SC)N=C1C)NC(OC(=C)C)=O.Cl.FC(C(CCN)(C)C)(F)F>>FC1=C(C=C(C(=C1)C)C1=CC2=C(N=C(N=C2)SC)N=C1C)NC(=O)NCCC(C(F)(F)F)(C)C
5
C1(=CC=CC=C1)C1=NNC=C1>N(C)(C)C=O.P(=O)(Cl)(Cl)Cl>C1(=CC=CC=C1)C=1C(=NNC1)C=O
3
C(C)C(CCCCC)[Mg]Br>C(C)OCC.BrC1=CC=CC=C1.Cl[Ni]1([P](CCC[P](C2=CC=CC=C2)1C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)Cl>C(C)C(CC1=CC=CC=C1)CCCC
3
NC1=NC(=CC=N1)C.O1COC2=C1C=CC(=C2)C2(CC2)C(=O)Cl>>O1COC2=C1C=CC(=C2)C2(CC2)C(=O)NC2=NC=CC(=N2)C
5
[OH:1][CH:2]([C:33]([CH3:36])([CH3:35])[CH3:34])[CH2:3][N:4]1[C:9](=[O:10])[C:8]([CH2:11][C:12]2[CH:17]=[CH:16][C:15]([C:18]3[C:19]([C:24]#[N:25])=[CH:20][CH:21]=[CH:22][CH:23]=3)=[CH:14][CH:13]=2)=[C:7]([CH2:26][CH2:27][CH3:28])[N:6]2[N:29]=[C:30]([CH3:32])[N:31]=[C:5]12.N1C(C)=CC=CC=1C.O1CCCC1.FC(F)(F)S(O[Si:56]([C:5...
1
C(C)(C)(C)OC(NCC1CCNCC1)=O.FC1=CC=CC=2N1C=C(N2)CN2CCC[C@H]1CCC3=CC=CN=C3[C@@H]21>CN1C(CCC1)=O>N1(CCC[C@H]2CCC3=CC=CN=C3[C@@H]12)CC=1N=C2N(C(=CC=C2)N2CCC(CC2)CNC(OC(C)(C)C)=O)C1
3
C(OC([N:8]([S:24]([N:27]1[CH2:32][CH2:31][N:30]([C:33]2[CH:38]=[CH:37][C:36]([Cl:39])=[CH:35][CH:34]=2)[CH2:29][CH2:28]1)(=[O:26])=[O:25])[C@H:9]([CH2:17][C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)[C:10]([O:12]C(C)(C)C)=[O:11])=O)(C)(C)C.Cl>C(Cl)Cl>[Cl:39][C:36]1[CH:35]=[CH:34][C:33]([N:30]2[CH2:29][CH2:28][N:27]([...
1
Cl[C:2]1[N:6]([CH3:7])[C:5]2[C:8]([CH:14]([CH2:17][CH3:18])[CH2:15][CH3:16])=[CH:9][CH:10]=[C:11]([O:12][CH3:13])[C:4]=2[N:3]=1.[Br:19][C:20]1[CH:25]=[C:24]([Cl:26])[CH:23]=[CH:22][C:21]=1[OH:27].C([Li])CCC.CCCCCC.S(Cl)(Cl)(=O)=O.N.[Cl-].[NH4+]>O1CCCC1>[Br:19][C:20]1[CH:25]=[C:24]([Cl:26])[CH:23]=[CH:22][C:21]=1[O:27][...
2
Cl.[NH2:2][CH:3]([C:5]1([CH3:10])[O:9][CH2:8][CH2:7][O:6]1)[CH3:4].C[O-].[Na+].[CH:14](OCC)=[O:15]>CO>[CH:14]([NH:2][CH:3]([C:5]1([CH3:10])[O:9][CH2:8][CH2:7][O:6]1)[CH3:4])=[O:15]
1
[Br:1][C:2]1[C:3]([CH3:11])=[C:4]([CH:8]=[CH:9][CH:10]=1)[C:5](O)=[O:6].Cl.[CH3:13][NH:14][O:15][CH3:16].N1C=CC=CC=1.C(Br)(Br)(Br)Br.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>C(Cl)Cl>[Br:1][C:2]1[C:3]([CH3:11])=[C:4]([CH:8]=[CH:9][CH:10]=1)[C:5]([N:14]([CH3:13])[O:15][CH3:16])=[O:6]
1
[CH:1]([CH:19]1[CH2:24][C:23](=[O:25])[O:22][C:20]1=O)=[CH: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]CCCC.[CH2:26](O)[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH3:41].[C:43]([OH:52])(=[O:51])[CH2:44][...
1
SCC(=O)O.ClC1=CC=C(C(=C1)C1=CC=C(C=C1)SCC)N>>ClC=1C=CC(=C(C1)C1=CC=C(C=C1)SCC)SCC(=O)O
5
[O:1]=[C:2]1[CH2:23][CH2:22][C@@:21]2([CH3:24])[C:4]([CH2:5][CH2:6][C@@H:7]3[C@@H:20]2[CH2:19][CH2:18][C@@:17]2([CH3:25])[C@H:8]3[CH2:9][CH2:10][C@@H:11]2[CH:12]([C:14]([OH:16])=[O:15])[CH3:13])=[CH:3]1.[OH-].[Na+].[CH3:28]I.O>CN(P(N(C)C)N(C)C)C>[O:1]=[C:2]1[CH2:23][CH2:22][C@@:21]2([CH3:24])[C:4]([CH2:5][CH2:6][C@@H:7...
1
SC1=CC=C(C=C1)O.ClC1=C(C=C(N)C=C1)[N+](=O)[O-]>>NC1=CC(=C(C=C1)SC1=CC=C(C=C1)O)[N+](=O)[O-]
5
[CH2:1]([NH:4][C:5]1[C:6]2[S:14][CH:13]=[C:12]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3)[C:7]=2[N:8]=[C:9](Cl)[N:10]=1)[CH:2]=[CH2:3].[CH2:21]([NH2:24])[CH:22]=[CH2:23].C(=O)([O-])O.[Na+]>>[CH2:21]([NH:24][C:9]1[N:10]=[C:5]([NH:4][CH2:1][CH:2]=[CH2:3])[C:6]2[S:14][CH:13]=[C:12]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:1...
1
[NH2:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=O)=[CH:4][CH:3]=1.C(N([CH2:16][CH3:17])CC)C.S(Cl)(Cl)=O.[CH2:22]([N:24]([CH2:28][CH3:29])[CH2:25][CH2:26][NH2:27])[CH3:23].[CH2:30](OCC)C>>[CH2:22]([N:24]([CH2:28][CH3:29])[CH2:25][CH2:26][NH:27][C:6](=[O:8])[C:5]1[CH:4]=[CH:3][C:2]([NH:1][CH2:30][C:16]#[CH:17])=[CH:10][CH...
1
[CH2:1]([CH:4]1[CH2:9][CH2:8][CH:7]([CH:10]2[CH2:15][CH2:14][CH:13]([CH:16]=[CH:17][C:18]3[CH:23]=[CH:22][C:21]([O:24][CH2:25][CH3:26])=[C:20]([F:27])[C:19]=3[CH:28]([F:30])[F:29])[CH2:12][CH2:11]2)[CH2:6][CH2:5]1)[CH2:2][CH3:3]>[C].[Pd]>[F:30][CH:28]([F:29])[C:19]1[C:20]([F:27])=[C:21]([O:24][CH2:25][CH3:26])[CH:22]=[...
1
[OH:1][C:2]1[CH:9]=[CH:8][C:7]([CH3:10])=[CH:6][C:3]=1[CH:4]=[O:5].Cl.[P:12](Cl)([O:17][CH2:18][CH3:19])([O:14][CH2:15][CH3:16])=[O:13]>ClCCl.C(N(CC)CC)C>[P:12]([O:1][C:2]1[CH:9]=[CH:8][C:7]([CH3:10])=[CH:6][C:3]=1[CH:4]=[O:5])([O:17][CH2:18][CH3:19])([O:14][CH2:15][CH3:16])=[O:13]
1
C(C=C)C1=CC=CC=2NC(COC21)=S>>C(C=C)C1=CC=CC=2N/C(/COC21)=N/O
5
Br[C:2]1[C:11]2[C:6](=[CH:7][C:8]([Br:12])=[CH:9][CH:10]=2)[N:5]=[C:4]([NH2:13])[N:3]=1.C([O-])=O.[NH4+].C>CN(C=O)C.CO.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>[Br:12][C:8]1[CH:7]=[C:6]2[C:1...
2
C(CO)O.FC1=CC=C(CBr)C=C1>C1CCCO1.[H-].[Na+].[I-].C(CCC)[N+](CCCC)(CCCC)CCCC>FC1=CC=C(C=C1)COCCO
3
[S:1]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][C:9]=2[O:11][CH2:12][CH2:13][C:14]([OH:16])=O)[CH2:4][CH2:3][CH2:2]1.Cl.CN(C)CCCN=C=NCC.ON1C2C=CC=CC=2N=N1.[CH3:39][O:40][C:41]1[CH:46]=[CH:45][CH:44]=[CH:43][C:42]=1[N:47]1[CH2:52][CH2:51][NH:50][CH2:49][CH2:48]1>CN(C)C=O>[CH3:39][O:40][C:41]1[CH:46]=[CH:45][CH:44]=[CH:43][C:42]...
1
[F:1][C:2]([F:11])([F:10])[C:3]1[CH:9]=[CH:8][CH:7]=[CH:6][C:4]=1[NH2:5].C(N(CC)CC)C.[CH:19]1([C:25](Cl)=[O:26])[CH2:24][CH2:23][CH2:22][CH2:21][CH2:20]1.[OH-].[Na+]>O.C(Cl)Cl>[F:1][C:2]([F:10])([F:11])[C:3]1[CH:9]=[CH:8][CH:7]=[CH:6][C:4]=1[NH:5][C:25]([CH:19]1[CH2:24][CH2:23][CH2:22][CH2:21][CH2:20]1)=[O:26]
1
NC(=S)N.BrCC1=C(C(=CC=C1)Cl)Cl>CCO[H]>ClC1=C(CSC(N)=N)C=CC=C1Cl
3
C(C)(C)(C)OC(=O)N1CCN(CC1)C(=O)C1=C(C(=O)NC2=NC=CC(=C2)C(C)N2CCN(CC2)C(=O)OC(C)(C)C)C=CC=C1>O1CCOCC1.O.NN>NC1=NC=CC(=C1)C(C)N1CCN(CC1)C(=O)OC(C)(C)C
3
BrCC(=O)C1=CC=CC=C1.C(=O)(OC(C)(C)C)N1[C@H](C(=O)O)CCC1>ClCCl.C(C)(C)N(C(C)C)CC>C(C(=O)C1=CC=CC=C1)OC([C@H]1N(CCC1)C(=O)OC(C)(C)C)=O
3
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C@H:8]1[C:17]2[CH:18]=[CH:19][CH:20]=[CH:21][C:16]=2[C:15]2[N:14]=[C:13]([NH:22][C:23]3[CH:28]=[CH:27][CH:26]=[C:25]([CH2:29][CH2:30][N:31]4[CH2:36][CH2:35][N:34]([CH2:37][CH2:38][O:39][CH3:40])[CH2:33][CH2:32]4)[CH:24]=3)[N:12]=[CH:11][C:10]=2[CH2:9]1.[ClH:41].C(OCC)C>ClCCl...
1
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4](S(C)(=O)=O)[N:3]=1.[C-]#N.[Na+].[CH3:15][N:16](C=O)C>O>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([C:15]#[N:16])[N:3]=1
1
OC(CC(C)=O)(C)C>>OC(CC(C)=NO)(C)C
5
S1C(=CC=C1)/C=C/C(=O)O>O.CCN(CC)CC.CC(=O)C.[N-]=[N+]=[N-].[Na+].C(C(C)C)OC(=O)Cl>S1C(=CC=C1)/C=C/C(=O)N=[N+]=[N-]
3
C([Sn](CCCC)(CCCC)[C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][N:7]=1)CCC.Br[C:21]1[C:26]([F:27])=[C:25]([N+:28]([O-:30])=[O:29])[CH:24]=[CH:23][C:22]=1[F:31]>O1CCOCC1.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...
1
ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C=1C=C2C=C(NC2=CC1)CCC(=O)OCC>>ClC=1C=C(C=CC1OC(C)C)C1=NC(=NO1)C=1C=C2C=C(NC2=CC1)CCC(=O)[O-].[Na+]
5
BrC=1C=C(C(=O)OC)C=C(C1Cl)F>[Cu]I.CS(=O)C.N12CCN(CC1)CC2>ClC1=C(C=C(C(=O)O)C=C1S(=O)(=O)C)F
3
ClC1=C(C=O)C=C(C=C1)[N+](=O)[O-]>>ClC1=C(CN2CCN(CC2)C(=O)OC(C)(C)C)C=C(C=C1)[N+](=O)[O-]
5
Cl[C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N+:3]=1[O-:12].[SH-:13].[Na+].[S-2].[Na+].[Na+].Cl.S>O>[SH:13][C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[N+:3]=1[O-:12]
1
[OH:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([NH2:8])=[O:7])=[CH:4][CH:3]=1.C(=O)([O-])[O-].[K+].[K+].C(#N)C.Br[CH2:21][CH2:22][CH2:23][Cl:24]>O>[Cl:24][CH2:23][CH2:22][CH2:21][O:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([NH2:8])=[O:7])=[CH:4][CH:3]=1
1
F[P-](F)(F)(F)(F)F.[N:8]1(OC(N(C)C)=[N+](C)C)C2N=CC=CC=2N=N1.C([O-])(=O)C.[NH4+].C(N(CC)C(C)C)(C)C.[Si:39]([O:46][CH2:47][CH2:48][NH:49][C:50]1[CH:55]=[CH:54][C:53]([N:56]2[CH2:61][CH2:60][C:59]3[C:62]([C:73]([OH:75])=O)=[N:63][N:64]([C:65]4[CH:70]=[CH:69][C:68]([O:71][CH3:72])=[CH:67][CH:66]=4)[C:58]=3[C:57]2=[O:76])=...
2
C1(=CC=CC=C1)OC(NC1=NOC(=C1)C(C)(C)C)=O.O1CCN(CC1)CCCOC1=CC=C(C=C1)C#CC1=CC=C(N)C=C1>C1(=CC=NC=C1)N(C)C.ClCCl.CCN(CC)CC>C(C)(C)(C)C1=CC(=NO1)NC(=O)NC1=CC=C(C=C1)C#CC1=CC=C(C=C1)OCCCN1CCOCC1
3
[C:1]([O:4][C@@H:5]1[C@@H:10]([O:11][C:12](=[O:14])[CH3:13])[C@H:9]([O:15][C:16](=[O:18])[CH3:17])[C@@H:8]([S:19][CH3:20])[O:7][C@H:6]1[C:21]1[CH:26]=[CH:25][C:24]([CH3:27])=[C:23]([CH2:28][C:29]2[CH:34]=[CH:33][C:32]([CH2:35][CH2:36]CCCN)=[CH:31][CH:30]=2)[CH:22]=1)(=[O:3])[CH3:2].[CH2:41]([NH:45]C(=O)OC(C)(C)C)[CH2:4...
1
[F:1][C:2]1[CH:3]=[C:4]([CH:10]=[CH:11][C:12]=1[N+:13]([O-])=O)[C:5]([N:7]([CH3:9])[CH3:8])=[O:6]>[Ni].C1COCC1>[NH2:13][C:12]1[CH:11]=[CH:10][C:4]([C:5]([N:7]([CH3:9])[CH3:8])=[O:6])=[CH:3][C:2]=1[F:1]
1
[N+](=O)([O-])C.CC(C=O)(C)C>O.C1CCCO1.Cl.[H-].[Al+3].[Li+].[H-].[H-].[H-]>CC(C(C[N+](=O)[O-])O)(C)C
3
CI.BrC=1C=C2C(=NC1)NC(=N2)C>C1CCCO1.[OH-].[K+]>BrC=1C=C2C(=NC1)N=C(N2C)C
3
C[C@@H](C(=O)O)NC(=O)OC(C)(C)C.N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCCBr>N(C)(C)C=O.C1CCCO1.C(=O)(C(F)(F)F)O.CN1CCOCC1>N([C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCCBr)C(=O)OC(C)(C)C
3
[CH2:1]([N:3]([CH2:30][CH3:31])[C:4]([CH:6]1[C:18]2[C:17]3[C:12](=[CH:13][CH:14]=[C:15]([F:19])[CH:16]=3)[N:11]([CH2:20][CH2:21][O:22]CC3C=CC=CC=3)[C:10]=2[CH2:9][CH2:8][CH2:7]1)=[O:5])[CH3:2]>CO.[Pd]>[CH2:30]([N:3]([CH2:1][CH3:2])[C:4]([CH:6]1[C:18]2[C:17]3[C:12](=[CH:13][CH:14]=[C:15]([F:19])[CH:16]=3)[N:11]([CH2:20]...
1
C(C1=CC=CC=C1)OC(CBr)=O.C(C)(C)(C)OCCN>N(C)(C)C=O.CCN(CC)CC>C(C)(C)(C)OCCNCC(=O)OCC1=CC=CC=C1
3
FC1=CC=C(C=C1)B(O)O.BrC=1C=NC=C2C=CC(=NC12)C(=O)NCC(C)(C)C>>FC1=CC=C(C=C1)C=1C=NC=C2C=CC(=NC12)C(=O)NCC(C)(C)C
5
IC1=CC=C(C=C1)CC(=O)O>C1CCCO1.B>IC1=CC=C(C=C1)CCO
3
[O:1]1[CH2:6][CH2:5][N:4]([C:7]2[CH:12]=[C:11]3[NH:13][CH2:14][C:15]4([CH2:20][CH2:19][O:18][CH2:17][CH2:16]4)[C:10]3=[CH:9][CH:8]=2)[CH2:3][CH2:2]1.CN(C=O)C.[H-].[Na+].Cl[C:29]1[C:38]2[C:33](=[CH:34][C:35]([Cl:39])=[CH:36][CH:37]=2)[N:32]=[C:31]([C:40]2[CH:45]=[CH:44][CH:43]=[CH:42][C:41]=2[F:46])[C:30]=1[CH3:47]>CCOC...
1
ClC=1C(N(N=CC1OC)C)=O>>COC1=CC(N(N=C1)C)=O
5
[H-].[Li+].[Al+3].[H-].[H-].[H-].[CH2:7]([N:14]1[CH2:21][CH:20]2[O:22][CH:16]([CH2:17][N:18]([CH:23]([C:29](OCC)=[O:30])[C:24](OCC)=[O:25])[CH2:19]2)[CH2:15]1)[C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1.[OH-].[Na+]>C1COCC1>[CH2:7]([N:14]1[CH2:15][CH:16]2[O:22][CH:20]([CH2:19][N:18]([CH:23]([CH2:24][OH:25])[CH2:29][OH:...
2
[Br:1][C:2]1[CH:22]=[CH:21][C:5]([CH2:6][CH:7]([C:15](=[O:20])[CH2:16][CH2:17][CH2:18][CH3:19])[C:8](=[N:12][O:13][CH3:14])[C:9]([NH2:11])=O)=[C:4]([F:23])[CH:3]=1.ClC(Cl)(Cl)C(Cl)=O>C(N(CC)CC)C>[Br:1][C:2]1[CH:22]=[CH:21][C:5]([CH2:6][CH:7]([C:15](=[O:20])[CH2:16][CH2:17][CH2:18][CH3:19])[C:8](=[N:12][O:13][CH3:14])[C...
1
[I:1][C:2]1[CH:8]=[CH:7][C:5]([NH2:6])=[CH:4][CH:3]=1.[I:9][C:10]1[CH:11]=[C:12]2[C:17](=O)[O:16][C:14](=[O:15])[C:13]2=[CH:19][CH:20]=1.N1C=CC=CC=1.C(OC(=O)C)(=O)C>O.CC(N(C)C)=O>[I:1][C:2]1[CH:8]=[CH:7][C:5]([N:6]2[C:17](=[O:16])[C:12]3=[CH:11][C:10]([I:9])=[CH:20][CH:19]=[C:13]3[C:14]2=[O:15])=[CH:4][CH:3]=1
1
Cl.Cl.C1(=CC=CC=C1)C1=NN=C(S1)CN.FC(CN1N=NC(=C1)C(=O)O)F>N(C)(C)C=O.CCO[H].C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.C(O)([O-])=O.[Na+].F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C1(=CC=CC=C1)C1=NN=C(S1)CNC(=O)C=1N=NN(C1)CC(F)(F)F
3
C(#N)C1=NC=CN=C1>CO[H].C[O-].[Na+].C(C)(=O)O>COC(=N)C1=NC=CN=C1
3
O1CCCCC1[O:7][NH:8][C:9](=[O:24])[CH:10]([CH2:15][C:16]1[CH:21]=[CH:20][C:19]([F:22])=[C:18]([CH3:23])[CH:17]=1)[CH2:11][CH2:12][CH2:13][CH3:14].FC(F)(F)C(O)=O>ClCCl>[OH:7][NH:8][C:9](=[O:24])[CH:10]([CH2:15][C:16]1[CH:21]=[CH:20][C:19]([F:22])=[C:18]([CH3:23])[CH:17]=1)[CH2:11][CH2:12][CH2:13][CH3:14]
1
[NH2:1][C:2]1[S:11][C:5]2[C:6](=[O:10])[NH:7][CH2:8][CH2:9][C:4]=2[C:3]=1[C:12]1[S:13][C:14]2[CH:20]=[CH:19][CH:18]=[CH:17][C:15]=2[N:16]=1.[C:21](OC(=O)C)(=[O:23])[CH3:22]>C(O)(=O)C>[S:13]1[C:14]2[CH:20]=[CH:19][CH:18]=[CH:17][C:15]=2[N:16]=[C:12]1[C:3]1[C:4]2[CH2:9][CH2:8][NH:7][C:6](=[O:10])[C:5]=2[S:11][C:2]=1[NH:1...
2
C1(=CC=CC=C1)NN.CN(C=CC(=O)C1=NN(C=CC1=O)C1=CC=C(C=C1)N1CCCCC1)C>CO[H]>C1(=CC=CC=C1)N1N=CC=C1C1=NN(C=CC1=O)C1=CC=C(C=C1)N1CCCCC1
3
C1(CC1)C1=C(C(=NO1)C1=C(N(C=2N=CN=C(C21)NCC2=C(C=C(C=C2)OC)OC)C(C)C)CO)C(=O)OCC>ClCCl.CS(=O)(=O)Cl.C(C)(C)N(C(C)C)CC>C1(CC1)C1=C(C(=NO1)C1=C(N(C=2N=CN=C(C21)NCC2=C(C=C(C=C2)OC)OC)C(C)C)COS(=O)(=O)C)C(=O)OCC
3
[NH:1]1[C:5]2=[N:6][CH:7]=[CH:8][CH:9]=[C:4]2[C:3]([CH:10]=[C:11]2[O:15][C:14]([NH:16][C:17]3[CH:22]=[CH:21][C:20]([F:23])=[CH:19][C:18]=3[F:24])=[C:13]([C:25]([O:27]CC)=[O:26])[C:12]2=[O:30])=[CH:2]1.[OH-].[K+]>C(O)C.O.Cl>[NH:1]1[C:5]2=[N:6][CH:7]=[CH:8][CH:9]=[C:4]2[C:3]([CH:10]=[C:11]2[O:15][C:14]([NH:16][C:17]3[CH:...
1
N#N.Br[C:4]1[CH:9]=[C:8]([C:10]2([CH3:15])[O:14][CH2:13][CH2:12][O:11]2)[CH:7]=[CH:6][N:5]=1.[Li]CCCC.CN([CH:24]=[O:25])C.[NH4+].[Cl-]>CCOCC>[CH3:15][C:10]1([C:8]2[CH:7]=[CH:6][N:5]=[C:4]([CH:24]=[O:25])[CH:9]=2)[O:14][CH2:13][CH2:12][O:11]1
1
ClC=1C(=NN(C1N1CC2=C(N=C(N=C2N2[C@@H](COCC2)C)C2=C3C(=NN(C3=CC=C2C)S(=O)(=O)C2=CC=C(C)C=C2)C)CC1)CC)C1CC1>CO[H].C([O-])([O-])=O.[K+].[K+]>ClC=1C(=NN(C1N1CC2=C(N=C(N=C2N2[C@@H](COCC2)C)C2=C3C(=NNC3=CC=C2C)C)CC1)CC)C1CC1
3
NC1=C(C=NC=2C=CC=C(C12)O)[N+](=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)OCC(=O)C>ClCCl.[OH-].[Na+].[I-].[K+].[Br-].C(CCC)[N+](CCCC)(CCCC)CCCC>NC1=C(C=NC2=CC=CC(=C12)OCC(C)=O)[N+](=O)[O-]
3
BrCC(=O)OCC.C(C)[C@@H](C1=CC=CC=C1)NC(=O)C1=C(C(=NC2=CC=CC=C12)C1=CC=CC=C1)O>>C(C)[C@@H](C1=CC=CC=C1)NC(=O)C1=C(C(=NC2=CC=CC=C12)C1=CC=CC=C1)OCC(=O)OCC
5
I[C:2]1[CH:7]=[CH:6][N:5]=[CH:4][CH:3]=1.[Li]CCCC.CCCCCC.[CH3:19][O:20][C:21]1[CH:26]=[CH:25][C:24]([C:27]2[CH:28]=[CH:29][C:30]([C:33](=[O:35])[CH3:34])=[N:31][CH:32]=2)=[CH:23][CH:22]=1>C1COCC1>[CH3:19][O:20][C:21]1[CH:22]=[CH:23][C:24]([C:27]2[CH:28]=[CH:29][C:30]([C:33]([C:2]3[CH:7]=[CH:6][N:5]=[CH:4][CH:3]=3)([OH:...
1
C(C)(=O)C=1C=C(NN1)C(=O)O.NCCC1=CC(=NO1)C1=C(C(=C(C#N)C=C1)Cl)C>ClCCl.C(C)(C)N(C(C)C)CC.O.ON1N=NC2=C1C=CC=C2.CCN=C=NCCCN(C)C>C(C)(=O)C1=NNC(=C1)C(=O)NCCC1=CC(=NO1)C1=C(C(=C(C=C1)C#N)Cl)C
3
C(C)C=1C(=CC=C2C=C(C=C(C12)C1=C(C=2N=C(N=C(C2C=N1)N1CCOCC2(CCO2)C1)OCC1(CC1)C=O)F)OCOC)F.C1C(CC12CCNCC2)CN2CCN(CC2)C=2C=C1CN(C(C1=CC2)=O)[C@@H]2C(NC(CC2)=O)=O>C1CCCO1.CS(=O)C.[O-]CC.[Ti+4].[O-]CC.[O-]CC.[O-]CC.C(#N)[BH3-].[Na+]>C(C)C=1C(=CC=C2C=C(C=C(C12)C1=C(C=2N=C(N=C(C2C=N1)N1CCOCC2(CCO2)C1)OCC1(CC1)CN1CCC2(CC(C2)CN...
3
[OH:1][C:2]1[CH:15]=[C:14]([OH:16])[C:13]2[C@:12]34[CH2:17][CH2:18][N:19]([CH:20]=[O:21])[C@@H:6]([C@@H:7]3[CH2:8][CH2:9][C:10](=[O:22])[CH2:11]4)[CH2:5][C:4]=2[CH:3]=1.Cl[C:24]1[N:28]([C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[N:27]=[N:26][N:25]=1.C([O-])([O-])=O.[K+].[K+].N#N>CN(C=O)C.[OH-].[Na+]>[OH:16][C:14]1[...
1
[F:1][CH:2]([F:18])[C:3]1[C:7]([C:8]([F:11])([F:10])[F:9])=[C:6]([C:12]([O:14]CC)=[O:13])[N:5]([CH3:17])[N:4]=1.[OH-].[Na+]>CO>[F:18][CH:2]([F:1])[C:3]1[C:7]([C:8]([F:11])([F:10])[F:9])=[C:6]([C:12]([OH:14])=[O:13])[N:5]([CH3:17])[N:4]=1
1
[C:1]([C:4]1[CH:13]=[CH:12][CH:11]=[C:10]2[C:5]=1[CH2:6][CH2:7][CH2:8][C:9]2=[O:14])(=S)[NH2:2].F[B-](F)(F)F.C([O+](CC)CC)C.[Cl-:27].[NH4+:28]>>[ClH:27].[C:1]([C:4]1[CH:13]=[CH:12][CH:11]=[C:10]2[C:5]=1[CH2:6][CH2:7][CH2:8][C:9]2=[O:14])(=[NH:28])[NH2:2]
1
C(C)(C)(C)OC(NC=1N=C(SC1)C1CCN(CC1)C(CC1=C(C=CC(=C1)C)C)=O)=O>>Cl.NC=1N=C(SC1)C1CCN(CC1)C(CC1=C(C=CC(=C1)C)C)=O
5
C([O:8][C:9]1[CH:14]=[CH:13][C:12]([O:15][CH3:16])=[CH:11][C:10]=1[CH:17]([C:19]1[CH:24]=[CH:23][C:22]([O:25][CH3:26])=[CH:21][CH:20]=1)O)C1C=CC=CC=1.Cl>CO.[OH-].[Pd+2].[OH-]>[CH3:26][O:25][C:22]1[CH:21]=[CH:20][C:19]([CH2:17][C:10]2[CH:11]=[C:12]([O:15][CH3:16])[CH:13]=[CH:14][C:9]=2[OH:8])=[CH:24][CH:23]=1
1
[F:1][C:2]([F:25])([F:24])[C:3]1[CH:4]=[C:5]([NH:13][C:14](=[O:23])[C:15]2[CH:20]=[C:19](I)[CH:18]=[CH:17][C:16]=2[OH:22])[CH:6]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:8]=1.[CH3:26][Si:27]([C:30]#[CH:31])([CH3:29])[CH3:28].C(OCC)(=O)C.C(O)(=O)CC(CC(O)=O)(C(O)=O)O>C(N(CC)CC)C.CN(C)C=O.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C...
2
[CH3:1][O:2][C:3](=[O:30])[CH:4]=[CH:5][CH:6]1[O:10][N:9]=[C:8]([C:11]2[CH:16]=[CH:15][C:14]([O:17][CH2:18][C:19]3[C:28]4[C:23](=[CH:24][CH:25]=[CH:26][CH:27]=4)[N:22]=[C:21]([CH3:29])[CH:20]=3)=[CH:13][CH:12]=2)[CH2:7]1.[C:31]([OH:34])(=[S:33])[CH3:32].C(N(CC)CC)C>>[CH3:1][O:2][C:3](=[O:30])[CH2:4][CH:5]([S:33][C:31](...
1
N(=O)C1=CC=C(C=C1)S(=O)(=O)Cl>O.[OH-].[Na+]>N(=O)C1=CC=C(C=C1)S(=O)(=O)NCC(=O)O
3
FC=1C=CC(=C(C1)B(O)O)OC.FC(C(=C)Br)(F)F>>FC1=CC(=C(C=C1)OC)C(=C)C(F)(F)F
5
[C:1]([C:4]([CH3:6])=O)([CH3:3])=O.[Br:7][C:8]1[CH:9]=[C:10]([NH2:18])[C:11]([NH2:17])=[CH:12][C:13]=1[O:14][CH2:15][CH3:16].[Cl-].[NH4+]>CO>[Br:7][C:8]1[CH:9]=[C:10]2[C:11](=[CH:12][C:13]=1[O:14][CH2:15][CH3:16])[N:17]=[C:4]([CH3:6])[C:1]([CH3:3])=[N:18]2
2
N1=CC(=CC=C1)C=O.ClC=1C=CC(=C(C1)C1=NN(C=C1NC(=O)C=1C=NN2C1N=CC=C2)CCNCC(=O)OCC)OC(F)F>>ClC=1C=CC(=C(C1)C1=NN(C=C1NC(=O)C=1C=NN2C1N=CC=C2)CCN(CC(=O)OCC)CC=2C=NC=CC2)OC(F)F
5