Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N[C@H](C(=O)O)CC\C=C\C(=O)N(C)C>ClCCl.C(C)(C)N(C(C)C)CC.C(O)([O-])=O.[Na+]>C(C)(C)(C)OC(=O)N[C@H](C(=O)O)CC\C=C\C(=O)N(C)C
3
N[C@@H]([C@@H](C(=O)NO)NC(C1=CC=C(C=C1)C#CC#CCCO)=O)C>N(C)(C)C=O.CO[H].C=O.C(=O)(C(F)(F)F)O.C(C)(C)N(C(C)C)CC.C(#N)[BH3-].[Na+]>ONC([C@H]([C@@H](C)NC)NC(C1=CC=C(C=C1)C#CC#CCCO)=O)=O
3
[ClH:1].[N:2]12[CH2:9][CH2:8][CH:5]([CH2:6][CH2:7]1)[C@@H:4]([NH:10][C:11]([C:13]1[S:14][C:15]3[CH:21]=[C:20](Br)[CH:19]=[CH:18][C:16]=3[CH:17]=1)=[O:12])[CH2:3]2.[O:23]1[CH2:28][CH2:27][N:26]([C:29]2[CH:34]=[CH:33][C:32](B(O)O)=[CH:31][CH:30]=2)[CH2:25][CH2:24]1.C(=O)([O-])[O-].[Na+].[Na+]>C1C=CC(P(C2C=CC=CC=2)[C-]2C=...
1
BrC1=NNC2=CC=C(C=C12)[N+](=O)[O-]>CCO[H].O.O.[Sn](Cl)Cl>BrC1=NNC2=CC=C(C=C12)N
3
[C:1]1(/[CH:7]=[CH:8]/[C:9]2[O:10][CH:11]=[C:12]([CH2:14][O:15][C:16]3[CH:21]=[CH:20][C:19]([CH2:22][CH2:23][CH2:24][N:25]4[CH:29]=[CH:28][N:27]=[C:26]4[C:30]([O:32]CC)=[O:31])=[CH:18][CH:17]=3)[N:13]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[OH-].[Na+].O1CCCC1.Cl>O>[C:1]1(/[CH:7]=[CH:8]/[C:9]2[O:10][CH:11]=[C:12]([CH2:14]...
1
COC(=O)C1=NC=CC=C1C>CO[H].Cl.[HH].[Pd]>Cl.CC1C(NCCC1)C(=O)OC
3
ClC1=NC=2C=CC=C(C2C=C1)N.C12(CC3CC(CC(C1)C3)C2)CC(=O)Cl>ClCCl>C12(CC3CC(CC(C1)C3)C2)CC(=O)NC2=C3C=CC(=NC3=CC=C2)Cl
3
Cl[C:2]1[CH:3]=[CH:4][C:5]([N+:10]([O-:12])=[O:11])=[C:6]([CH:9]=1)[CH:7]=[O:8].[F-:13].[K+].O>CC(N(C)C)=O>[F:13][C:2]1[CH:3]=[CH:4][C:5]([N+:10]([O-:12])=[O:11])=[C:6]([CH:9]=1)[CH:7]=[O:8]
1
O1C(=CC=C1)C(=O)Cl.CC=1C=CC(=NC1)NC1CCN(CC1)CC12CC3(CC(CC(C1)C3)C2)C(=O)OC>CO[H].ClCCl.CCN(CC)CC.N>Cl.COC(=O)C12CC3(CC(CC(C1)C3)C2)CN2CCC(CC2)N(C(=O)C=2OC=CC2)C2=NC=C(C=C2)C
3
C(C1=CC=CC=C1)OCCN1C=NC2=C1C=CC=C2>>C(C1=CC=CC=C1)OCCN1C(=NC2=C1C=CC=C2)C=O
5
[O:1]=O.[OH:3][C:4]1[CH:16]=[CH:15][C:7]2[O:8][C:9]3[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=3[C:6]=2[CH:5]=1.[NH:17]1[CH2:22][CH2:21][CH2:20][CH2:19][CH2:18]1>CO.C([O-])(=O)C.[Cu+2].C([O-])(=O)C>[N:17]1([C:15]2[C:7]3[O:8][C:9]4[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=4[C:6]=3[C:5](=[O:1])[C:4](=[O:3])[CH:16]=2)[CH2:22][CH2:21...
1
COCC(=O)NC1=NC=CC(=C1)OC1=C(C=C(C=C1)[N+](=O)[O-])OC>CO[H].[HH].[HH].C(C)(=O)O.[Pt]>NC1=CC(=C(OC2=CC(=NC=C2)NC(COC)=O)C=C1)OC
3
Cl[CH2:2][CH2:3][CH:4]1[O:8][C:7](=[O:9])[N:6]([CH3:10])[CH2:5]1.[CH2:11]([O:13][C:14](=[O:27])[C:15]1[CH:20]=[CH:19][C:18]([N:21]2[CH2:26][CH2:25][NH:24][CH2:23][CH2:22]2)=[CH:17][CH:16]=1)[CH3:12]>>[CH2:11]([O:13][C:14](=[O:27])[C:15]1[CH:16]=[CH:17][C:18]([N:21]2[CH2:22][CH2:23][N:24]([CH2:2][CH2:3][CH:4]3[O:8][C:7]...
1
[CH3:1][N:2]([C:4]([O:6][C:7]([CH3:10])([CH3:9])[CH3:8])=[O:5])[NH2:3].[CH3:11][C:12]([CH3:14])=O.CC(OCC1C2C(=CC=CC=2)C(COC(C)=O)=C2C=1C=CC=C2)=O.C([O-])(=O)C.[Na+]>C(OCC)C>[CH3:1][N:2]([C:4]([O:6][C:7]([CH3:10])([CH3:9])[CH3:8])=[O:5])[N:3]=[C:12]([CH3:14])[CH3:11]
1
COC1=C(C=CC=C1)C1=CN(C2=NC=C(C=C21)C2=CN=CC(=N2)CC(=O)O)S(=O)(=O)C2=CC=C(C=C2)C>>COC1=C(C=CC=C1)C1=CN(C2=NC=C(C=C21)C2=CN=CC(=N2)CC(=O)N(C)C)S(=O)(=O)C2=CC=C(C=C2)C
5
BrC1=C2C=C(C=NC2=CC=C1)C>>CC=1C=NC2=CC=CC(=C2C1)C
5
FC(CN)(F)F.C(C)(C)(C)OC(=O)N[C@H](C(=O)NC1=C(CC[C@@H]2CN(C[C@H](O2)CO)C(=O)OC(C)(C)C)C(=CC=C1)F)C(C1=CC=C(C=C1)F)C1=CC=C(C=C1)F>c1ccncc1.C(=O)(C=1NC=CN1)C=1NC=CN1>C(C)(C)(C)OC(=O)N[C@H](C(=O)NC1=C(CC[C@@H]2CN(C[C@H](O2)COC(NCC(F)(F)F)=O)C(=O)OC(C)(C)C)C(=CC=C1)F)C(C1=CC=C(C=C1)F)C1=CC=C(C=C1)F
3
ClCCCCC=1N(N=C2C(=NC=3C=CC=CC3C21)N)CC>N(C)(C)C=O.[I-].[Na+].[H-].[Na+].CS(=O)(=O)N>NC1=NC=2C=CC=CC2C=2C1=NN(C2CCCCNS(=O)(=O)C)CC
3
NC1=NC=CC=N1.ClC=1C=CC(=C2C=NNC12)NC1=C(OC2=CN=CC=C21)C(=O)OCC>>ClC=1C=CC(=C2C=NNC12)NC1=C(OC2=CN=CC=C21)C(=O)NC2=NC=CC=N2
5
[F:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]([NH:10][NH2:11])=[O:9])=[N:6][CH:7]=1.C(N(CC)CC)C.Cl[C:20](=O)[C:21]([O:23][CH3:24])=[O:22].C1(C)C=CC(S(Cl)(=O)=O)=CC=1>ClCCl.O>[F:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[O:9][C:20]([C:21]([O:23][CH3:24])=[O:22])=[N:11][N:10]=2)=[N:6][CH:7]=1
2
IC1=C(C=CC=C1)C>[Cu]I.C(CCC)O.C(=O)([O-])[O-].[Cs+].[Cs+].N1=CC=CC2=CC=C3C=CC=NC3=C12>C(CCC)OC1=C(C=CC=C1)C
3
BrC=1C=C(C=NC1)O.ClC1=NC=CN=C1OCC>O.CN1C(CCC1)=O.C(=O)([O-])[O-].[Cs+].[Cs+]>BrC=1C=C(C=NC1)OC1=NC=CN=C1OCC
3
ClC1=C(CNC=2SC(C(N2)=O)=CC=2N=C3C(=C(C=NC3=CC2)C#N)OC(C)C)C=CC(=C1)F.C(=O)C=1N=C2C=C(C=NC2=CC1)C#N>C(C)(=O)O.C(C)(=O)[O-].[Na+]>ClC1=C(CNC=2SC(C(N2)=O)=CC=2N=C3C=C(C=NC3=CC2)C#N)C=CC(=C1)F
3
[S:1]([O:8]S(C(F)(F)F)(=O)=O)([C:4]([F:7])([F:6])[F:5])(=[O:3])=[O:2].[CH:16]1([O:21][C:22]2[C:30]3[O:29][CH2:28][C:27](=O)[C:26]=3[CH:25]=[CH:24][C:23]=2[O:32][CH3:33])[CH2:20][CH2:19][CH2:18][CH2:17]1.C(N(CC)C(C)C)(C)C>C1COCC1>[F:5][C:4]([F:7])([F:6])[S:1]([O:8][C:27]1[C:26]2[CH:25]=[CH:24][C:23]([O:32][CH3:33])=[C:2...
2
NC(C[C@@H](CNCC1=CN=C2N(C1=O)C=CC(=C2)C=2C(=C(C=CC2)C=2C(=C(C=CC2)C2=CC=C(C(=N2)OC)CN(C(OC(C)(C)C)=O)C[C@H]2NC(CC2)=O)Cl)Cl)O)=O>ClCCl.C(=O)(C(F)(F)F)O>ClC1=C(C=CC=C1C1=C(C(=CC=C1)C1=NC(=C(C=C1)CNC[C@H]1NC(CC1)=O)OC)Cl)C1=CC=2N(C(C(=CN2)CNC[C@H](CC(=O)N)O)=O)C=C1
3
O1CC(CC1)CC1=CC=CC(=N1)NC(C(C)(C)C)=O>>O1CC(CC1)CC1=CC=CC(=N1)N
5
C1(=CC=CC=C1)CN.CS(=O)(=O)OCC[C@@H]1CN(C[C@@H]1COS(=O)(=O)C)C(=O)OC(C)(C)C>C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)N1C[C@H]2[C@@H](CC1)CN(C2)C(=O)OC(C)(C)C
3
Br[C:2]1[CH:7]=[CH:6][C:5]([Br:8])=[CH:4][N:3]=1.[C:9]1([SH:15])[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.CC(C)([O-])C.[Na+]>COCCOC.[Cl-].[Na+].O>[Br:8][C:5]1[CH:6]=[CH:7][C:2]([S:15][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)=[N:3][CH:4]=1
1
[Br:1][C:2]1[C:3]([OH:18])=[C:4]([NH:12][C:13]([CH:15]2[CH2:17][CH2:16]2)=[O:14])[CH:5]=[C:6]([C:8]([F:11])([F:10])[F:9])[CH:7]=1.Br[CH2:20][CH2:21][CH2:22]Cl.C(=O)([O-])[O-].[K+].[K+].O>CN(C=O)C>[Br:1][C:2]1[C:3]2[O:18][CH2:20][CH2:21][CH2:22][N:12]([C:13]([CH:15]3[CH2:16][CH2:17]3)=[O:14])[C:4]=2[CH:5]=[C:6]([C:8]([F...
2
[F:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH2:5][OH:6].CC([O-])(C)C.[K+].Cl[C:17]1[CH:26]=[CH:25][C:24]2[C:23](=[O:27])[NH:22][CH2:21][CH2:20][C:19]=2[N:18]=1>CN(C=O)C>[F:1][C:2]1[CH:3]=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH2:5][O:6][C:17]1[CH:26]=[CH:25][C:24]2[C:23](=[O:27])[NH:22][CH2:21][CH2:20][C:19]=2[N:18]=1
1
BrC1=CSC=C1.CON(C(CCC)=O)C>O.[Li].C1CCCO1.CC(=O)C.CCCCCC.CCCC(C)C.CCC(C)CC.C>S1C=C(C=C1)C(CCC)=O
3
[NH2:1][C:2]1[CH:3]=[C:4]([OH:8])[CH:5]=[CH:6][CH:7]=1.C([O-])(=O)C.[Na+].[Br:14][CH2:15][C:16](Br)=[O:17]>C(O)(=O)C>[OH:8][C:4]1[CH:3]=[C:2]([CH:7]=[CH:6][CH:5]=1)[NH:1][C:16](=[O:17])[CH2:15][Br:14]
1
N[C@H](C)C=1C(=C(C#N)C=CC1)C.BrC1=CC(=C2C(=NN=C(C2=C1)Cl)C)F>CS(=O)C.[F-].[Cs+]>BrC1=CC(=C2C(=NN=C(C2=C1)N[C@H](C)C=1C(=C(C#N)C=CC1)C)C)F
3
NC1=C(C(=O)N)C=CC(=C1)Br.ClC(=O)C1N(CCC1)C(=O)OCC1C2=CC=CC=C2C=2C=CC=CC12>C1CCCO1.CCN(CC)CC>BrC=1C=CC(=C(C1)NC(=O)C1N(CCC1)C(=O)OCC1C2=CC=CC=C2C=2C=CC=CC12)C(N)=O
3
[Cl:1][C:2]1[CH:3]=[C:4]([O:24][CH3:25])[C:5]([O:22][CH3:23])=[C:6]([CH:8]([NH:10][C:11]2[CH:16]=[C:15](F)[CH:14]=[CH:13][C:12]=2[S:18]([CH3:21])(=[O:20])=[O:19])[CH3:9])[CH:7]=1.[CH3:26][N:27]([CH3:34])[CH:28]1[CH2:33][CH2:32][NH:31][CH2:30][CH2:29]1.C(N(CC)C(C)C)(C)C>C(#N)C>[Cl:1][C:2]1[CH:3]=[C:4]([O:24][CH3:25])[C:...
1
Cl.Cl.[Cl:3][C:4]1[CH:9]=[C:8]([C:10]#[N:11])[CH:7]=[CH:6][C:5]=1[C:12]1[CH:17]=[CH:16][C:15]([O:18][C:19]([F:22])([F:21])[F:20])=[C:14]([CH2:23][NH:24][C@H:25]2[CH2:30][CH2:29][NH:28][CH2:27][C@H:26]2[C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)[CH:13]=1.[C:37]([N:40]1[CH2:45][CH2:44][CH:43]([C:46](O)=[O:47])[CH2:42...
2
[C:1](O)(=[O:10])[CH:2]=[CH:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.[Br:12][C:13]1[CH:18]=[CH:17][C:16]([OH:19])=[CH:15][CH:14]=1.S(=O)(=O)(O)O.C1(C)C=CC=CC=1>C(O)(C)C.O>[Br:12][C:13]1[CH:18]=[C:17]2[C:16](=[CH:15][CH:14]=1)[O:19][C:1](=[O:10])[CH2:2][CH:3]2[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1
2
C(C1=CC=CC=C1)(SC=1C=CC=C2C=C(N=CC12)C(NC(C)(CC(C)(C)C)C)=O)=O>CC#N.O.N.[Cl-].C(C1=CC=CC=C1)[N+](CC)(CC)CC.ClN1C(N(C(N(C1=O)Cl)=O)Cl)=O>S(N)(=O)(=O)C=1C=CC=C2C=C(N=CC12)C(=O)NC(C)(CC(C)(C)C)C
3
[Br:1][C:2]1[C:3]([O:8][C:9]2[CH:15]=[CH:14][C:12]([NH2:13])=[CH:11][CH:10]=2)=[N:4][CH:5]=[CH:6][CH:7]=1.[Cl:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][N:18]=1>CCOCC>[ClH:16].[Br:1][C:2]1[C:3]([O:8][C:9]2[CH:15]=[CH:14][C:12]([NH:13][C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][N:18]=3)=[CH:11][CH:10]=2)=[N:4][CH:5]=[CH:6][CH:7...
1
BrC1=C(CO)C=CC=C1.C(C)(C)C=1C=C(C=CC1)B(O)O>>C(C)(C)C=1C=C(C=CC1)C1=C(C=CC=C1)CO
5
[K+].[CH3:2][O:3][C:4]([C:6]1[N:11]=[C:10]([C:12]([O-:14])=O)[CH:9]=[CH:8][CH:7]=1)=[O:5].CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.[NH2:37][CH2:38][C:39]1[C:44]([CH2:45][CH3:46])=[N:43][C:42]2[N:47]([CH2:50][CH3:51])[N:48]=[CH:49][C:41]=2[C:40]=1[NH:52][CH:53]1[CH2:58][CH2:57][O:56][CH2:55][CH2:54]1>CN(C)C=O>...
1
FC1=C(C=C(C=C1)OC)F>C1CCCO1.BrBr.C(CCC)[Li]>BrC1=C(C=CC(=C1F)F)OC
3
NC=1C=C(C=CC1)N1C(N(CCC1)C1=CC=C(C=C1)CCC)=O.COC1=C(C=C(C=C1)C1CNC(C1)=O)S(=O)(=O)Cl>C(Cl)(Cl)(Cl)[H].ClCCl.c1ccncc1.C(O)([O-])=O.[Na+]>COC1=C(C=C(C=C1)C1CNC(C1)=O)S(=O)(=O)NC1=CC(=CC=C1)N1C(N(CCC1)C1=CC=C(C=C1)CCC)=O
3
C([N:8]1[CH2:13][CH2:12][CH:11]([C:14]([OH:17])([CH3:16])[CH3:15])[CH2:10][CH2:9]1)C1C=CC=CC=1.[H][H]>CO.[Pd]>[NH:8]1[CH2:13][CH2:12][CH:11]([C:14]([OH:17])([CH3:16])[CH3:15])[CH2:10][CH2:9]1
2
C[O:2][C:3](=[O:25])[C:4]1[CH:9]=[CH:8][C:7]([CH:10]([O:17][C:18]2[CH:23]=[CH:22][C:21]([Br:24])=[CH:20][CH:19]=2)[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])=[CH:6][CH:5]=1.[OH-].[Na+]>C(O)C>[Br:24][C:21]1[CH:20]=[CH:19][C:18]([O:17][CH:10]([C:7]2[CH:6]=[CH:5][C:4]([C:3]([OH:25])=[O:2])=[CH:9][CH:8]=2)[CH2:11][CH...
1
Cl.N1=CC=C(C=C1)CC(=O)O.COC=1C=C2CC(N=C(C2=C2C1OC(C2)(C)C)C=2C=C(C=CC2)N)(C)C>>COC=1C=C2CC(N=C(C2=C2C1OC(C2)(C)C)C=2C=C(C=CC2)NC(CC2=CC=NC=C2)=O)(C)C
5
[OH-].[Ca+2].[OH-]>C(Cl)(Cl)(Cl)[H].C1(=NC(=CC=C1)C)C.ClC=1C=C(C(=O)OO)C=CC1>CC1=[N+](C=C(C=C1)C)[O-]
4
Cl.CS[C:4]1[NH:5][CH2:6][C:7]([CH3:10])([CH3:9])[N:8]=1.[CH3:11][CH:12]([CH3:15])[CH2:13][NH2:14].ClC1C=[CH:23][C:20]([CH2:21][NH2:22])=[CH:19]C=1.[N:25](=[C:27]([C:33]#[N:34])[C:28]([O:30]CC)=[O:29])[OH:26].S(S([O-])(=O)=O)([O-])(=O)=O.[Na+].[Na+].[OH-].[Na+]>C(O)=O>[NH2:34][C:33]1[N:14]([CH2:13][CH:12]([CH3:15])[CH3:...
1
C1(=CC=CC=C1)S(=O)(=O)N1C=CC2=CC=C(C=C12)OC>O.ClCCl.B(Br)(Br)Br.C(O)([O-])=O.[Na+]>C1(=CC=CC=C1)S(=O)(=O)N1C=CC2=CC=C(C=C12)O
3
Cl[C:2]1[N:10]=[CH:9][N:8]=[C:7]2[C:3]=1[N:4]=[C:5]([C:18]1[CH:23]=[CH:22][C:21]([Cl:24])=[CH:20][C:19]=1[Cl:25])[N:6]2[C:11]1[CH:16]=[CH:15][C:14]([Cl:17])=[CH:13][CH:12]=1.[CH:26]([N:39]1[CH2:42][CH:41]([OH:43])[CH2:40]1)([C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1.CC...
1
O.[OH-].[Li+].[CH2:4]([S:8]([O:11][C:12]1[CH:17]=[CH:16][C:15]([CH2:18][CH2:19][CH2:20][C:21]2[CH:26]=[CH:25][C:24]([CH2:27][CH2:28][C:29]([O:31]C)=[O:30])=[CH:23][C:22]=2[O:33][CH2:34][C:35]2[CH:40]=[CH:39][C:38]([F:41])=[CH:37][CH:36]=2)=[CH:14][C:13]=1[O:42][CH3:43])(=[O:10])=[O:9])[CH2:5][CH2:6][CH3:7].O.C(O)(=O)C>...
1
BrC=1C=CC(=NC1)C(=O)NCC>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].C1(=CC=CC=C1)P([C-]1C=CC=C1)C1=CC=CC=C1.[C-]1(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Fe+2].C(C)(=O)[O-].[K+]>C(C)NC(=O)C1=NC=C(C=C1)B1OC(C(O1)(C)C)(C)C
3
ClC=1C(=CC(=NC1)NC(=O)[C@H]1CN(CCC1)C(=O)OC(C)(C)C)C1=NC(=CN=C1)NCC1CCOCC1>Cl.O1CCOCC1>ClC=1C(=CC(=NC1)NC(=O)[C@H]1CNCCC1)C1=NC(=CN=C1)NCC1CCOCC1
3
ClC1=CC=C(C=C1)C1CCC(CC1)C(=O)C1=C(C=CC(=N1)CNC(OC(C)(C)C)=O)C(C)C>Cl>Cl.NCC1=CC=C(C(=N1)C(=O)C1CCC(CC1)C1=CC=C(C=C1)Cl)C(C)C
3
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[C:9]([CH3:12])[CH:10]=2)[N:5]=[C:4]([N:13]2[CH2:19][C:18]3[CH:20]=[CH:21][CH:22]=[CH:23][C:17]=3[S:16](=[O:25])(=[O:24])[CH2:15][CH2:14]2)[CH:3]=1.[CH2:26]([NH2:35])[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][NH2:34]>>[O:24]=[S:16]1(=[O:25])[C:17]2[CH:23]=[CH:22][CH:21]=...
1
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC1=NNC(N1CC)=O.BrC=1C=C2C(=NN(C(C2=CC1)=O)C1=C(C=CC=C1F)Cl)C(C)C>[Cu]I.O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].CN[C@H]1[C@@H](CCCC1)NC>[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OCC1=NN(C(N1CC)=O)C=1C=C2C(=NN(C(C2=CC1)=O)C1=C(C=CC=C1F)Cl)C(C)C
3
[CH2:1]([O:4][CH2:5][C@H:6]([O:10][CH2:11][O:12][CH2:13][CH2:14][O:15][CH3:16])[CH2:7][CH:8]=[CH2:9])C=C>Cl[Ru](=C1N(C2C(C)=CC(C)=CC=2C)CCN1C1C(C)=CC(C)=CC=1C)(Cl)(=CC1C=CC=CC=1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1.C(Cl)Cl>[CH3:16][O:15][CH2:14][CH2:13][O:12][CH2:11][O:10][C@@H:6]1[CH2:7][CH:8]=[CH:9][CH2:1][O:4][CH2:5]1
1
[NH:1]1[CH:5]=[CH:4][CH:3]=[N:2]1.[C:6]([O-])([O-])=O.[K+].[K+].CN[C@H:14]1[C@H:19]([NH:20]C)[CH2:18][CH2:17][CH2:16][CH2:15]1.O>CN1C(=O)CCC1.[Cu]I.CCOC(C)=O>[CH3:6][C:14]1[CH:15]=[C:16]([N:1]2[CH:5]=[CH:4][CH:3]=[N:2]2)[CH:17]=[CH:18][C:19]=1[NH2:20]
1
C[Si](C)(C)C=[N+]=[N-].O=C1CC(C1)C(=O)O>O.C1CCCO1.ClS(Cl)=O.C(C)(=O)OCC.C(C)(=O)O.CCCCCC.C(O)([O-])=O.[Na+]>[N+](=[N-])=CC(=O)C1CC(C1)=O
3
[N:1]1[NH:2][N:3]=[C:4]([CH2:6][O:7][C:8]2[CH:9]=[CH:10][C:11]([N:14]3[CH:18]=[N:17][N:16]=[N:15]3)=[N:12][CH:13]=2)[CH:5]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[CH3:38][O:39][C:40]([C@H:42]1[CH2:47][C@@H:46](O)[CH2:45][CH2:44][N:43]1[C:49]([O:51][C:52]([CH3:55])([CH3:54])[CH3:53])=[O:50])=[O:41]>C1COCC1>[N:14]1([C:...
1
C(CC(=O)C)(=O)OCC.COC=1C=C(C=O)C=CC1.S(=O)(=O)(O)O.CSC(N)=N>N(C)(C)C=O.[Na]>CSC=1NC(=C(C(N1)C1=CC(=CC=C1)OC)C(=O)OCC)C
3
C(C=C)Br.C1(=CC=CC=C1)C1N2CC3(CN(C(N1C3)C3=CC=CC=C3)C2C2=CC=CC=C2)CO>C(C)(=O)OCC.CS(=O)C.CCCCCC.[OH-].[K+]>C(C=C)OCC12CN3C(N(C(N(C1)C3C3=CC=CC=C3)C3=CC=CC=C3)C2)C2=CC=CC=C2
3
COCCl.C(=O)C1=C(C=CC2=C1OC(C=1CN(CCC12)C(=O)OCC=C)=O)O>>C(=O)C1=C(C=CC2=C1OC(C=1CN(CCC12)C(=O)OCC=C)=O)OCOC
5
C(CS)(=O)OCC.BrC=1N=C(N(C1C=O)COCC[Si](C)(C)C)C>CCO[H].CC[O-].[Na+]>CC=1N(C2=C(N1)SC(=C2)C(=O)OCC)COCC[Si](C)(C)C
3
C(C(C)C)C1=C(C=C2CCC=3N(C2=C1)C(=NC3C(=O)OCC)C3=CSC=C3)OC>>OC=1C=C2CCC=3N(C2=CC1CC(C)C)C(=NC3C(=O)O)C3=CSC=C3
5
O[C@@H](C(=O)OCC)[C@H](C1=C(C=C(C=C1)OC)[N+](=O)[O-])O>O.ClCCl.ClS(Cl)=O.CCN(CC)CC>COC1=CC(=C(C=C1)[C@H]1[C@@H](OS(O1)=O)C(=O)OCC)[N+](=O)[O-]
3
CN1C([C@H](CCCC1)NC(OC(C)(C)C)=O)=O>>N[C@@H]1C(N(CCCC1)C)=O
5
ClC1=C(C(=O)O)C=C(C=C1)O.FC1=NC(=CC=C1)F>CS(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=C(C(=O)O)C=C(C=C1)OC1=NC(=CC=C1)F
3
CC1=C(C(=CC=C1)C(=O)NC(C)C)NC(=O)C1=CC(=NN1C1=C(C(=O)OC)C=CC=C1)C(F)(F)F>>OCC1=C(C=CC=C1)N1N=C(C=C1C(=O)NC1=C(C=CC=C1C(=O)NC(C)C)C)C(F)(F)F
5
FC1=C(CN2N=C(C3=C2CCC3)C(NN)=N)C=CC=C1.CC(C(=O)OC)(C(C(=O)OC)=O)C>CCO[H]>FC1=C(CN2N=C(C3=C2CCC3)C=3N=NC(=C(N3)O)C(C(=O)OC)(C)C)C=CC=C1
3
[C:1]([CH:4]([CH2:16][CH2:17][CH:18]=[C:19]([CH3:25])[CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][C:11]([O:13][CH2:14][CH3:15])=[O:12])(=[O:3])[CH3:2].[OH-:26].[Na+].[BH4-].[Na+]>O.O1CCCC1>[C:1]([CH:4]([CH2:16][CH2:17][CH2:18][C:19]([OH:26])([CH3:25])[CH2:20][CH2:21][CH2:22][CH2:...
1
F[C:2]1[CH:7]=[CH:6][C:5]([S:8]([CH3:10])=[O:9])=[CH:4][CH:3]=1.[NH:11]1[CH2:16][CH2:15][NH:14][CH2:13][CH2:12]1>O>[CH3:10][S:8]([C:5]1[CH:6]=[CH:7][C:2]([N:11]2[CH2:16][CH2:15][NH:14][CH2:13][CH2:12]2)=[CH:3][CH:4]=1)=[O:9]
2
C(C)(C)(C)C1=NN=C2N1N=C(C=C2)C#CC2=C(C=C(C=C2)F)F>>C(C)(C)(C)C1=NN=C2N1N=C(C=C2)CC(=O)C2=C(C=C(C=C2)F)F
5
O1C=C(C=C1)CC/C=C(/CC/C=C(/CC\C=C(\CC[C@H]([C@H](C(=O)OCC)C)O)/CO)\C)\C>>O1C=C(C=C1)CC/C=C(/CC/C=C(/CC\C=C(\CC[C@H]([C@H](C(=O)O)C)O)/CO)\C)\C
5
C(OC([N:8]1[CH2:12][CH2:11][CH:10]([O:13][C:14]([N:16]2[CH2:21][CH2:20][CH:19]([O:22][C:23]3[CH:28]=[C:27]([N:29]4[C:37]5[C:32](=[CH:33][C:34]([S:38]([CH3:41])(=[O:40])=[O:39])=[CH:35][CH:36]=5)[CH2:31][CH2:30]4)[N:26]=[CH:25][N:24]=3)[CH2:18][CH2:17]2)=[O:15])[CH2:9]1)=O)(C)(C)C.C(O)(C(F)(F)F)=O>C(Cl)Cl>[NH:8]1[CH2:12...
1
CI.FC1=C(C=CC(=C1)Cl)N1C(NC(=CC1=O)C1=CC(=CC=C1)C(F)(F)F)=O>N(C)(C)C=O.O.C([O-])([O-])=O.[K+].[K+]>CN1C(N(C(C=C1C1=CC(=CC=C1)C(F)(F)F)=O)C1=C(C=C(C=C1)Cl)F)=O
3
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH2:11][C:12]([NH:14][CH2:15][C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][C:17]=2[N:22]([CH3:27])[S:23]([CH3:26])(=[O:25])=[O:24])=O)[CH:6]=[CH:7][C:8]=1[O:9][CH3:10].B.CSC>C1COCC1>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:6]=[CH:7][C:8]=1[O:9][CH3:10])[CH2:11][CH2:12][NH:14][CH2:15][C:16]1[CH:21]=[CH...
2
[F:1][C:2]([F:36])([F:35])[C:3]1[CH:4]=[CH:5][C:6]([NH:9][C:10]([C:12]2[CH:34]=[CH:33][C:15]([O:16][C:17]3[CH:26]=[C:25]4[C:20]([CH:21]([C:27]([O:29]C)=[O:28])[CH2:22][CH2:23][O:24]4)=[CH:19][C:18]=3[C:31]#[N:32])=[CH:14][CH:13]=2)=[O:11])=[N:7][CH:8]=1.[OH-].[Na+].CO>C1COCC1.C(OCC)(=O)C.Cl>[F:36][C:2]([F:1])([F:35])[C...
1
CI.ClC1=NC(=NC(=C1)OC)N>>ClC1=NC(=NC(=C1)OC)N(C)C
5
[CH3:1][O:2][CH2:3][O:4][CH2:5][CH2:6][C:7]1[CH:12]=[CH:11][C:10](Br)=[CH:9][CH:8]=1.C([Li])(C)(C)C.[CH2:19]([O:26][C:27]1[C:32]([CH:33]=[O:34])=[C:31]([CH3:35])[CH:30]=[C:29]([CH3:36])[N:28]=1)[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1.[Cl-].[NH4+]>O1CCCC1>[CH2:19]([O:26][C:27]1[C:32]([CH:33]([C:10]2[CH:11]=[CH:12...
1
Cl.CNC.C(C1=CC=CC=C1)(=O)O[C@@H]1[C@H](O[C@H]([C@]1(C)F)N1C2=NC(=NC(=C2N=C1)Cl)N)COC(C1=CC=CC=C1)=O>>NC1=NC(=C2N=CN(C2=N1)[C@H]1[C@]([C@@H]([C@H](O1)CO)O)(C)F)N(C)C
5
C(C)(C)C1=C(C=NC(C(C)C)C(C)C)C=C(C(=C1)OC)OC>>C(C)(C)C1=C(C=O)C=C(C(=C1)OC)OC
5
[Si:1]([O:18][CH2:19][CH2:20][CH2:21][C:22]1[CH:33]=[CH:32][C:25]([O:26][C:27]([CH3:31])([CH3:30])[CH2:28][OH:29])=[CH:24][CH:23]=1)([C:14]([CH3:17])([CH3:16])[CH3:15])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.CC(OI1(OC(C)=O)(OC(C)=O)OC(=O)C2C1=CC=CC=2)=O>ClCCl.C(OCC)(=O)C>[...
1
O.O.O.[F-].C([N+](CCCC)(CCCC)CCCC)CCC.CC(O)=O.COC(=O)[CH2:29][N:30]([S:41]([NH:44][C:45]([O:47]CC[Si](C)(C)C)=O)(=[O:43])=[O:42])[CH2:31][C:32]1[CH:33]=[C:34]2[C:38](=[CH:39][CH:40]=1)[NH:37][CH:36]=[CH:35]2.CC#N>O1CCCC1.Cl.CCOCC.O.CS(C)=O>[NH:37]1[C:38]2[C:34](=[CH:33][C:32]([CH2:31][N:30]3[S:41](=[O:43])(=[O:42])[NH:...
1
BrC1=CC=C(C=C1)C1=CC=C(C=C1)Br.C(C)(C)(C)P.C1=CC=CC=2C3=CC=CC=C3N(C12)C=1C=C(C=CC1)NC1=CC(=CC=C1)N1C2=CC=CC=C2C=2C=CC=CC12>C1(=CC=CC=C1)C.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.CC(C)(C)[O-].[Na+]>C1=CC=CC=2C3=CC=CC=C3N(C12)C=1C=C(C=CC1)N(C1=CC=C(C=C1)C1=CC=C(C=C1)N(C1=CC(=CC=C1)N1C2=CC=CC=C2C=2C=CC=CC12)C1=CC(=CC=C1)N1C2=CC=CC=C...
3
ICCC.CC1=C(C=O)C=CC=C1O>N(C)(C)C=O.O.[H-].[Na+]>CC1=C(C=O)C=CC=C1OCCC
3
C([O:3][C:4]([C:6]1[C:15](=[O:16])[C:14]2[C:9](=[N:10][C:11](F)=[C:12]([CH2:17][C:18]3[CH:23]=[CH:22][CH:21]=[C:20]([Cl:24])[C:19]=3[F:25])[CH:13]=2)[N:8]([C@H:27]([C:32](C)(C)[O:33][SiH2]C(C)(C)C)[C:28]([CH3:31])([CH3:30])[CH3:29])[CH:7]=1)=[O:5])C.[NH:41]1[CH2:46][CH2:45][O:44][CH2:43][CH2:42]1.[OH-].[Na+]>CO>[CH3:31...
2
C(C=1C(S)=CC=CC1)(=O)OC.FC1=C(C=O)C=C(C=C1)C1=CC=CC=C1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(=O)C1=C(C=CC(=C1)C1=CC=CC=C1)SC1=C(C(=O)OC)C=CC=C1
3
[CH2:1]([O:8][C:9]1[CH:10]=[C:11](Br)[CH:12]=[CH:13][CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C([Li])CCC.[B:21](OC(C)C)([O:26]C(C)C)[O:22]C(C)C>C1COCC1>[CH2:1]([O:8][C:9]1[CH:10]=[C:11]([B:21]([OH:26])[OH:22])[CH:12]=[CH:13][CH:14]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
1
ClC(=O)OC(C)Cl.C(C1=CC=CC=C1)[C@H]1N(CCN(C1)CC1=CC=CC=C1)C(=O)C1=C(N(C(=C1)C)C=1C=C(C=CC1)N1CCSCC1)C1=CC=CC=C1>ClCCCl>Cl.Cl.C(C1=CC=CC=C1)[C@H]1N(CCNC1)C(=O)C1=C(N(C(=C1)C)C=1C=C(C=CC1)N1CCSCC1)C1=CC=CC=C1
3
CS(O)(=O)=O.[NH2:6][CH2:7][C:8]1[CH:9]=[C:10]2[C:14](=[CH:15][CH:16]=1)[C:13](=[O:17])[N:12]([CH:18]1[CH2:23][CH2:22][C:21](=[O:24])[NH:20][C:19]1=[O:25])[CH2:11]2.[Cl:26][C:27]1[CH:28]=[C:29]([N:34]=[C:35]=[O:36])[CH:30]=[C:31]([Cl:33])[CH:32]=1.C(N(CC)CC)C.Cl>C(#N)C>[Cl:26][C:27]1[CH:28]=[C:29]([NH:34][C:35]([NH:6][C...
1
[CH2:1]([O:8][CH2:9][O:10][C@H:11]1[CH2:15][N:14]([C:16]([O:18][C:19]([CH3:22])([CH3:21])[CH3:20])=[O:17])[C@@H:13]([CH2:23][OH:24])[CH2:12]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.O[C:26]1[C:27]([C:32]([O:34][CH2:35][CH3:36])=[O:33])=[N:28][CH:29]=[CH:30][CH:31]=1.ClC1C=C(O)C=NC=1>>[CH2:1]([O:8][CH2:9][O:10][C@H:11]...
1
Br/[CH:2]=[CH:3]/[C:4]1[CH:9]=[CH:8][C:7]([O:10][CH3:11])=[CH:6][C:5]=1[CH3:12].[Li]C(C)(C)C.[CH2:18]([O:25][C:26]1[CH:27]=[C:28]2[C:33](=[CH:34][C:35]=1[O:36][CH3:37])[CH:32]=[N:31][CH2:30][CH2:29]2)[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1>CCOCC.C1COCC1>[CH2:18]([O:25][C:26]1[CH:27]=[C:28]2[C:33](=[CH:34][C:35]=...
2
COC=1C=C(C=CC1OC)C(C)O>[Cu]I.N(C)(C)C=O.CC(C)(C)[O-].[K+].CC1(N(C(CCC1)(C)C)[O])C.N1[C@H](C(=O)O)CCC1>COC=1C=C(C=CC1OC)C(C)=O
3
[CH3:1][C:2]1[C:6]([C:7]2[CH:16]=[CH:15][C:14]3[NH:17][C:18](=[O:19])[N:12]4[C:13]=3[C:8]=2[CH2:9][CH2:10][CH:11]4[C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)=[C:5]([CH3:26])[O:4][N:3]=1.[C:27](=O)([O-])[O-].[Cs+].[Cs+].CI>CN(C)C=O>[CH3:1][C:2]1[C:6]([C:7]2[CH:16]=[CH:15][C:14]3[N:17]([CH3:27])[C:18](=[O:19])[N:12]4...
1
BrC=1C(N(C=C2C(NN(C(C21)=O)C)=O)C2CC2)=O>CO[H].C[O-].[Na+]>C1(CC1)N1C=C2C(NN(C(C2=C(C1=O)OC)=O)C)=O
3
C[O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:18]=[C:17]3[C:12]([CH:13]=[CH:14][CH:15]=[N:16]3)=[CH:11][N:10]=2)=[CH:5][CH:4]=1.C1(S)C=CC=CC=1.C(=O)([O-])[O-].[K+].[K+]>CN1CCCC1=O>[N:16]1[C:17]2[C:12](=[CH:11][N:10]=[C:9]([C:6]3[CH:7]=[CH:8][C:3]([OH:2])=[CH:4][CH:5]=3)[CH:18]=2)[CH:13]=[CH:14][CH:15]=1
1
C(C=C)(=O)OCC.BrC=1C=C(C(=C(C1)F)CO)F>N(C)(C)C=O.O.C(C)(C)N(C(C)C)CC.Cl[Pd]Cl.CC1=C(C=CC=C1)P(C1=C(C=CC=C1)C)C1=C(C=CC=C1)C>FC=1C=C(C=C(C1CO)F)/C=C/C(=O)OCC
3
N(N)C(=O)OC(C)(C)C.BrCC1=CC=NO1>N(C)(C)C=O.C([O-])([O-])=O.[Na+].[Na+]>C(C)(C)(C)OC(=O)NNCC1=CC=NO1
3
[CH3:1][C:2]1[CH2:7][CH2:6][CH2:5][C:4]([CH3:9])([CH3:8])[C:3]=1[CH:10]=[CH:11][C:12]([CH3:23])=[CH:13][CH:14]=[CH:15][C:16]([CH3:22])=[CH:17][CH2:18][O:19][CH:20]=[O:21].C[C:25]1[CH2:30][CH2:29][CH2:28][C:27](C)([CH3:31])[C:26]=1/[CH:33]=[CH:34]/[C:35](/C)=[CH:36]/[CH:37]=[CH:38]/[C:39](/C)=[CH:40]/CO.CC1CCCC(C)(C)C=1...
1