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Dataset #45

[CH2:1]([N:8]1[CH2:15][CH2:14][C:13]2([C:17]3[CH:18]=[C:19]([NH2:44])[CH:20]=[CH:21][CH:22]=3)[CH2:16][CH:9]1[CH2:10][CH2:11][CH2:12]2)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
Reaction #312569
Yield 62.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([N:8]1[CH2:15][CH2:14][C:13]2([C:17]3[CH:18]=[C:19]([NH:23][S:28]([CH2:27][CH2:26][O:25][CH3:24])(=[O:30])=[O:29])[CH:20]=[CH:21][CH:22]=3)[CH2:16][CH:9]1[CH2:10][CH2:11][CH2:12]2)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
Reaction #312570
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([N:8]1[CH2:15][CH2:14][C:13]2([C:17]3[CH:18]=[C:19]([NH:23][S:25]([CH3:24])(=[O:27])=[O:26])[CH:20]=[CH:21][CH:22]=3)[CH2:16][CH:9]1[CH2:10][CH2:11][CH2:12]2)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
Reaction #312571
Yield 101.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([N:8]1[CH2:15][CH2:14][C:13]2([C:17]3[CH:18]=[C:19]([CH:20]=[CH:21][CH:22]=3)[C:31]#[N:32])[CH2:16][CH:9]1[CH2:10][CH2:11][CH2:12]2)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
Reaction #312572
Yield 54.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([N:8]1[CH2:15][CH2:14][C:13]2([C:17]3[CH:18]=[C:19]([CH:22]=[CH:23][CH:24]=3)[C:20]([NH2:21])=[O:26])[CH2:16][CH:9]1[CH2:10][CH2:11][CH2:12]2)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
Reaction #312573
DOI: 10.6084/m9.figshare.5104873.v1
[F:9][C:10]1[CH:18]=[CH:17][C:13]([C:14]([C:4]2[CH:5]=[CH:6][C:1]([O:7][CH3:8])=[CH:2][CH:3]=2)=[O:15])=[CH:12][CH:11]=1
Reaction #312574
Yield 94.4%DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]1[CH:17]=[CH:16][C:5]([C:6]([C:8]2[CH:13]=[CH:12][C:11]([O:14][CH3:15])=[CH:10][CH:9]=2)([OH:7])[C:18]#[CH:19])=[CH:4][CH:3]=1
Reaction #312575
DOI: 10.6084/m9.figshare.5104873.v1
[OH:40][CH2:41][C:42]1([CH2:46][OH:47])[C:36]2[C:35](=[CH:34][CH:33]=[C:32]([CH2:31][C:28]([OH:30])=[O:29])[CH:37]=2)[N:38]=[C:43]1[CH3:44]
Reaction #312576
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O:6][CH2:7][C:8]([O:10][C:19]12[CH2:20][CH:15]3[CH2:16][CH:17]([CH2:21][C:13]([OH:22])([CH2:14]3)[CH2:12]1)[CH2:18]2)=[O:9])(=[O:5])[C:2]([CH3:4])=[CH2:3]
Reaction #312577
DOI: 10.6084/m9.figshare.5104873.v1
[C:3]([O:13][CH2:28][CH2:29][CH2:30][C:31]([O:26][C:21]1([CH2:19][CH3:20])[CH2:25][CH2:24][CH2:23][CH2:22]1)=[O:32])(=[O:17])[C:10]([CH3:11])=[CH2:9]
Reaction #312578
DOI: 10.6084/m9.figshare.5104873.v1
[C:3]([O:13][CH2:29][CH2:30][CH2:31][C:32]([O:27][C:21]1([CH2:19][CH3:20])[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1)=[O:33])(=[O:17])[C:10]([CH3:11])=[CH2:9]
Reaction #312579
DOI: 10.6084/m9.figshare.5104873.v1
[C:3]([O:13][CH2:28][CH2:29][CH2:30][CH2:31][C:32]([O:26][C:20]1([CH3:19])[CH2:25][CH2:24][CH2:23][CH2:22][CH2:21]1)=[O:33])(=[O:17])[C:10]([CH3:11])=[CH2:9]
Reaction #312580
DOI: 10.6084/m9.figshare.5104873.v1
[C:3]([O:13][CH2:29][CH2:30][CH2:31][CH2:32][C:33]([O:27][C:21]1([CH2:19][CH3:20])[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]1)=[O:34])(=[O:17])[C:10]([CH3:11])=[CH2:9]
Reaction #312581
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:19][O:3][C:2]([C:4]1[CH:9]=[CH:8][C:7]([F:10])=[CH:6][C:5]=1[F:11])([O:13][CH3:12])[CH3:1]
Reaction #312582
DOI: 10.6084/m9.figshare.5104873.v1
[Cl-:17]
Reaction #312583
DOI: 10.6084/m9.figshare.5104873.v1
[Br-:33]
Reaction #312584
DOI: 10.6084/m9.figshare.5104873.v1
[Br-:10]
Reaction #312585
DOI: 10.6084/m9.figshare.5104873.v1
[S:9]([O-:14])([O-:12])(=[O:11])=[O:10]
Reaction #312586
DOI: 10.6084/m9.figshare.5104873.v1
[C:21]([O:29][CH:30]([C:38]([F:40])([F:41])[F:39])[C:31]([F:36])([F:37])[S:32]([O-:35])(=[O:34])=[O:33])(=[O:28])[C:22]1[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=1
Reaction #312587
Yield 75.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH:9][CH:10]([C:18]([F:21])([F:19])[F:20])[C:11]([F:16])([F:17])[S:12]([O-:15])(=[O:14])=[O:13]
Reaction #312588
Yield 85.0%DOI: 10.6084/m9.figshare.5104873.v1
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