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Dataset #101

[CH2:18]([C:19]1[CH:24]=[C:23]([CH:25]=[O:26])[C:22]([OH:27])=[C:21]([CH3:28])[CH:20]=1)[C:29]1[CH:34]=[C:33]([CH:35]=[O:36])[C:32]([OH:37])=[C:31]([CH3:38])[CH:30]=1
Reaction #502052
Yield 69.2%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:18]([C:19]1[C:24]([CH3:25])=[C:23]([CH:26]=[O:27])[C:22]([OH:28])=[C:21]([CH3:29])[CH:20]=1)[C:30]1[C:35]([CH3:36])=[C:34]([CH:37]=[O:38])[C:33]([OH:39])=[C:32]([CH3:40])[CH:31]=1
Reaction #502053
Yield 96.7%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:22][O:23][C:24](=[O:27])[CH2:25][O:10][C:6]1[CH:7]=[CH:8][CH:9]=[C:4]([N+:1]([O-:3])=[O:2])[CH:5]=1
Reaction #502054
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3](=[O:13])[CH2:4][O:5][C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([N:12]([CH2:10][CH:9]=[CH2:8])[CH2:11][CH:6]=[CH2:7])[CH:7]=1
Reaction #502055
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3](=[O:13])[CH2:4][O:5][C:6]1[CH:11]=[CH:10][CH:9]=[C:8]([N:12]([CH2:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[CH2:20][C:21]2[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=2)[CH:7]=1
Reaction #502056
DOI: 10.6084/m9.figshare.5104873.v1
[OH2:4]
Reaction #502057
DOI: 10.6084/m9.figshare.5104873.v1
[C:13]([O:17][CH2:5][CH2:6][CH2:1][CH3:7])(=[O:9])[CH:14]=[CH2:15]
Reaction #502058
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:20]([OH:21])[CH2:19][CH:17]([CH2:16][CH2:15][CH2:14][CH:12]([CH2:11][CH2:10][CH2:9][CH:7]([CH2:6][CH2:5][CH2:4][CH:2]([CH3:3])[CH3:1])[CH3:8])[CH3:13])[CH3:18]
Reaction #502059
DOI: 10.6084/m9.figshare.5104873.v1
[OH:17][C:16]([CH2:18][CH2:19][CH2:20][CH2:21][C@H:22]1[C@@H:30]2[C@@H:25]([NH:26][C:27]([NH:29]2)=[O:28])[CH2:24][S:23]1)=[O:15]
Reaction #502060
Yield 100.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:15]([O:1][CH:2]1[CH2:7][CH2:6][S:5][CH2:4][CH2:3]1)(=[O:19])[C:16]([CH3:18])=[CH2:17]
Reaction #502061
Yield 61.3%DOI: 10.6084/m9.figshare.5104873.v1
[C:16]([O:1][C:2]1([CH3:8])[CH2:7][CH2:6][S:5][CH2:4][CH2:3]1)(=[O:20])[C:17]([CH3:19])=[CH2:18]
Reaction #502062
Yield 65.3%DOI: 10.6084/m9.figshare.5104873.v1
[F:12][C:6]([F:11])([S:7]([O-:10])(=[O:9])=[O:8])[C:5]([F:14])([F:13])[C:4]([F:15])([F:16])[C:3]([F:2])([F:21])[S:17]([O-:20])(=[O:18])=[O:19]
Reaction #502063
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:6]([S:11]([O-:14])(=[O:13])=[O:12])[S:7]([O-:10])(=[O:9])=[O:8]
Reaction #502064
Yield 123.7%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:50][C@H:51]([C:56]([OH:58])=[O:57])[CH2:52][CH2:53][C:59]([OH:62])=[O:61]
Reaction #502065
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]1([C@:7]([CH3:12])([OH:11])[C:8]([OH:10])=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1
Reaction #502066
DOI: 10.6084/m9.figshare.5104873.v1
[C:19]1([C@:25]([CH3:30])([OH:29])[C:26]([OH:28])=[O:27])[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1
Reaction #502067
DOI: 10.6084/m9.figshare.5104873.v1
[OH:34][C@H:2]([CH2:1][C:44]#[N:45])[CH2:3][C:21]([OH:23])=[O:22]
Reaction #502068
DOI: 10.6084/m9.figshare.5104873.v1
[C:17]([O-:21])(=[O:20])[CH2:18][CH3:19]
Reaction #502069
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:18][O:19][C:20](=[O:50])[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=1[CH2:27][CH2:28][C@@H:29]([C:31]1[CH:36]=[CH:35][CH:34]=[C:33]([CH:37]=[CH:38][C:39]2[CH:48]=[CH:47][C:46]3[C:41](=[CH:42][C:43]([Cl:49])=[CH:44][CH:45]=3)[N:40]=2)[CH:32]=1)[OH:30]
Reaction #502070
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:52][CH:51]([CH3:53])[CH2:50][CH2:49][CH2:48][CH2:47][O:46][CH2:43][CH2:44][CH2:45][CH:8]=[O:9]
Reaction #502071
Yield 62.0%DOI: 10.6084/m9.figshare.5104873.v1
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