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Dataset #159

[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1
Reaction #710559
DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C:9]1[CH:14]=[CH:13][C:12]([S:16]([OH:19])(=[O:18])=[O:17])=[CH:11][CH:10]=1
Reaction #710560
Yield 40.3%DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C:9]1[C:10]([S:24]([Cl:27])(=[O:25])=[O:23])=[CH:11][CH:12]=[CH:13][CH:14]=1
Reaction #710561
DOI: 10.6084/m9.figshare.5104873.v1
[ClH:12]
Reaction #710562
DOI: 10.6084/m9.figshare.5104873.v1
[F:11][C:12]1[CH:17]=[C:16]([F:18])[CH:15]=[CH:14][C:13]=1[C:19]1[CH:20]=[CH:21][C:22]([S:25]([NH:1][C@H:2]2[CH2:6][CH2:5][C@@H:4]([C:7]([O:9][CH3:10])=[O:8])[CH2:3]2)(=[O:27])=[O:26])=[CH:23][CH:24]=1
Reaction #710563
DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C:9]1[CH:14]=[CH:13][C:12]([S:15]([NH:19][C@H:20]2[CH2:21][CH2:22][C@H:23]([C:26]([O:28][CH3:29])=[O:27])[CH2:24][CH2:25]2)(=[O:17])=[O:16])=[CH:11][CH:10]=1
Reaction #710564
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][C@@H:2]1[CH2:7][CH2:6][C@H:5]([C:8]([O:10][CH3:15])=[O:9])[CH2:4][CH2:3]1
Reaction #710565
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([S:8]([NH:12][C@@H:13]2[CH2:14][CH2:15][C@H:16]([C:19]([O:21][CH3:22])=[O:20])[CH2:17][CH2:18]2)(=[O:10])=[O:9])=[CH:4][CH:3]=1
Reaction #710566
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:6][C@@H:7]1[CH2:12][CH2:11][C@H:10]([NH:13][S:14]([C:17]2[CH:18]=[CH:19][C:20]([C:23]3[CH:28]=[CH:27][C:26]([F:29])=[CH:25][C:24]=3[F:30])=[CH:21][CH:22]=2)(=[O:16])=[O:15])[CH2:9][CH2:8]1
Reaction #710567
Yield 25.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C:9]1[CH:14]=[CH:13][C:12]([S:15]([NH:18][C@H:19]2[CH2:20][CH2:21][C@@H:22]([NH:25][CH2:26][C:27]([F:29])([F:30])[F:28])[CH2:23][CH2:24]2)(=[O:16])=[O:17])=[CH:11][CH:10]=1
Reaction #710568
Yield 79.2%DOI: 10.6084/m9.figshare.5104873.v1
[O:14]=[C:11]1[CH2:10][CH2:9][CH:8]([NH:7][C:6](=[O:15])[O:5][C:1]([CH3:3])([CH3:2])[CH3:4])[CH2:13][CH2:12]1
Reaction #710569
Yield 95.6%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:15][O:16][C:7]1[CH:8]=[CH:9][CH:10]=[C:11]2[C:6]=1[N:5]=[C:4]([CH3:3])[CH:13]=[CH:12]2
Reaction #710570
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([O:21][C:12]1[CH:13]=[CH:14][CH:15]=[C:16]2[C:11]=1[N:10]=[C:9]([CH3:19])[CH:18]=[CH:17]2)[CH3:2]
Reaction #710571
Yield 77.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH:1][C:2]1[CH:3]=[CH:4][CH:5]=[C:6]2[C:11]=1[N:10]=[C:9]([CH:12]=[O:13])[CH:8]=[CH:7]2
Reaction #710572
Yield 38.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:29][N:30]1[C:5]([F:4])=[C:6]([C:16]([F:19])([F:18])[F:17])[C:7]([C:8]([F:14])([F:13])[C:9]([F:12])([F:11])[F:10])=[N:31]1
Reaction #710573
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:29][N:30]1[C:5]([F:4])=[C:6]([C:16]([F:19])([F:18])[F:17])[C:7]([C:8]([F:14])([F:13])[C:9]([F:12])([F:11])[F:10])=[N:31]1
Reaction #710574
Yield 85.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:27][C:28]([F:33])([F:32])[C:29]([O-:31])=[O:30]
Reaction #710575
Yield 84.2%DOI: 10.6084/m9.figshare.5104873.v1
[S:28]([C:32]1[CH:38]=[CH:37][C:35]([CH3:36])=[CH:34][CH:33]=1)([O-:31])(=[O:30])=[O:29]
Reaction #710576
Yield 82.4%DOI: 10.6084/m9.figshare.5104873.v1
[F:1][P-:2]([F:7])([F:6])([F:5])([F:4])[F:3]
Reaction #710577
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:8]1[CH:9]=[C:10]([O:11][CH3:12])[C:5]([O:4][CH3:3])=[CH:6][C:7]=1[CH2:13][CH2:14][NH2:15]
Reaction #710578
Yield 79.2%DOI: 10.6084/m9.figshare.5104873.v1
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