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Dataset #168

[OH:16][C:2]([CH3:3])([CH3:1])[C:4]([C:6]1[CH:11]=[CH:10][CH:9]=[CH:8][CH:7]=1)=[O:5]
Reaction #742264
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:7][C:8]1[C:9](=[CH:10][C:11](=[CH:12][CH:13]=1)[N:14]=[C:15]=[O:16])[N:20]=[C:21]=[O:22]
Reaction #742265
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:16][S:17]([O:8][CH2:1][CH2:2][S:3][S:4][CH2:5][CH2:6][O:7][S:17]([CH3:16])(=[O:19])=[O:18])(=[O:19])=[O:18]
Reaction #742266
DOI: 10.6084/m9.figshare.5104873.v1
[Br-:1]
Reaction #742267
DOI: 10.6084/m9.figshare.5104873.v1
[Cl-:8]
Reaction #742268
DOI: 10.6084/m9.figshare.5104873.v1
[F:7][C:8]([F:14])([F:13])[S:9]([O-:12])(=[O:11])=[O:10]
Reaction #742269
DOI: 10.6084/m9.figshare.5104873.v1
[F:9][C:10]([F:16])([F:15])[S:11]([O-:14])(=[O:13])=[O:12]
Reaction #742270
DOI: 10.6084/m9.figshare.5104873.v1
[F:6][C:7]([F:13])([F:12])[S:8]([O-:11])(=[O:10])=[O:9]
Reaction #742271
DOI: 10.6084/m9.figshare.5104873.v1
[F:8][C:9]([F:15])([F:14])[S:10]([O-:13])(=[O:12])=[O:11]
Reaction #742272
DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]([F:8])([F:7])[S:3]([O-:6])(=[O:5])=[O:4]
Reaction #742273
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:18]1[S:19][C@@H:12]2[C@H:11]([NH:10][C:8]([C@H:7]([NH2:24])[C:4]3[CH:5]=[CH:6][CH:1]=[CH:2][CH:3]=3)=[O:9])[C:14](=[O:15])[N:13]2[C:16]([C:21]([OH:23])=[O:22])=[C:17]1[Cl:20]
Reaction #742274
Yield 2993.4%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:18]1[S:19][C@@H:12]2[C@H:11]([NH:10][C:8]([C@H:7]([NH2:24])[C:4]3[CH:5]=[CH:6][CH:1]=[CH:2][CH:3]=3)=[O:9])[C:14](=[O:15])[N:13]2[C:16]([C:21]([OH:23])=[O:22])=[C:17]1[Cl:20]
Reaction #742275
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:54][C@H:55]([C:62]([OH:64])=[O:63])[CH2:56][C:57]1[C:5]2[C:60](=[CH:1][CH:2]=[CH:3][CH:4]=2)[NH:59][CH:58]=1
Reaction #742276
DOI: 10.6084/m9.figshare.5104873.v1
[C:27]([C:24]1[CH:25]=[CH:26][C:21]([CH2:20][C@@H:19]([C:30]([OH:32])=[O:31])[NH2:18])=[CH:22][CH:23]=1)(=[O:29])[CH3:28]
Reaction #742277
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3]1[CH:8]=[C:7]2[C:6](=[CH:5][CH:4]=1)[N:9]=[C:13]([CH3:14])[C:12]2([CH3:16])[CH3:11]
Reaction #742278
Yield 45.4%DOI: 10.6084/m9.figshare.5104873.v1
[NH:1]([C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[C:5]([S:12]([OH:15])(=[O:13])=[O:14])=[CH:4][CH:3]=1)[NH2:17]
Reaction #742279
Yield 59.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:20][C:19]1[C:18]([CH3:22])([CH3:17])[C:4]2[C:3](=[C:12]3[CH:11]=[CH:10][CH:9]=[CH:8][C:7]3=[C:6]([S:13]([OH:16])(=[O:15])=[O:14])[CH:5]=2)[N:1]=1
Reaction #742280
DOI: 10.6084/m9.figshare.5104873.v1
[NH:1]([C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH:8]=[C:7]([S:12]([OH:15])(=[O:13])=[O:14])[CH:6]=[CH:5]2)[NH2:23]
Reaction #742281
Yield 77.2%DOI: 10.6084/m9.figshare.5104873.v1
[C:27]([CH2:26][CH2:25][CH2:24][CH2:23][N+:4]1[C:5]2[CH:6]=[CH:7][C:8]3[CH:14]=[C:13]([S:15]([O-:18])(=[O:17])=[O:16])[CH:12]=[CH:11][C:9]=3[C:10]=2[C:2]([CH3:20])([CH3:1])[C:3]=1[CH3:19])([OH:29])=[O:28]
Reaction #742282
Yield 7.2%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:6][C:7]1[CH:12]2[CH2:11][C:10]([CH3:15])([CH2:9][CH:8]=1)[CH2:13][CH2:14]2
Reaction #742283
DOI: 10.6084/m9.figshare.5104873.v1
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