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Dataset #17

[S:1]([O-:5])([O-:3])=[O:2]
Reaction #56598
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:16][C:15]1[C:13](=[O:14])[N:12]=[C:10]2[N:9]([C@@H:1]3[O:8][C@H:5]([CH2:6][OH:7])[C@H:3]([O:11]2)[CH2:2]3)[CH:17]=1
Reaction #56599
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:16][C:15]1[C:13](=[O:14])[N:12]=[C:10]2[N:9]([C@@H:1]3[O:8][C@H:5]([CH2:6][OH:7])[C@H:3]([O:11]2)[CH2:2]3)[CH:17]=1
Reaction #56600
Yield 83.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O-:24])(=[O:23])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22]
Reaction #56601
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:26]=[CH:25][C:5]2=[N:6][N:7]([C:9]3[CH:10]=[C:11]([CH:17]=[C:18]([C:21]([CH3:22])([CH3:23])[CH3:24])[C:19]=3[OH:20])[CH2:12][CH2:13][C:14]([O:16][CH:32]3[CH2:33][C:34]([CH3:35])([CH3:36])[N:29]([O:28][CH3:27])[C:30]([CH3:39])([CH3:38])[CH2:31]3)=[O:15])[N:8]=[C:4]2[CH:3]=1
Reaction #56602
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:27]=[CH:26][C:5]2=[N:6][N:7]([C:9]3[CH:10]=[C:11]([CH:18]=[C:19]([C:22]([CH3:23])([CH3:24])[CH3:25])[C:20]=3[OH:21])[CH2:12][CH2:13][C:14]([O:16][CH:17]3[CH2:33][C:34]([CH3:36])([CH3:35])[N:29]([CH3:28])[C:30]([CH3:39])([CH3:38])[CH2:31]3)=[O:15])[N:8]=[C:4]2[CH:3]=1
Reaction #56603
DOI: 10.6084/m9.figshare.5104873.v1
[OH:35][C:36]([CH3:51])([CH3:50])[CH2:37][O:38][N:39]1[C:44]([CH3:46])([CH3:45])[CH2:43][CH:1]([O:2][C:3]([C:5]2[CH:34]=[CH:33][C:8]3=[N:9][N:10]([C:12]4[CH:17]=[C:16]([C:18]([CH3:21])([CH3:20])[CH3:19])[CH:15]=[C:14]([C:22]([CH3:31])([CH3:30])[C:23]5[CH:24]=[CH:25][C:26]([Cl:29])=[CH:27][CH:28]=5)[C:13]=4[OH:32])[N:11]=[C:7]3[CH:6]=2)=[O:4])[CH2:41][C:40]1([CH3:49])[CH3:48]
Reaction #56604
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]1([S:7]([C:10]2[CH:35]=[CH:34][C:13]3=[N:14][N:15]([C:17]4[CH:18]=[C:19]([CH:26]=[C:27]([C:30]([CH3:32])([CH3:31])[CH3:33])[C:28]=4[OH:29])[CH2:20][CH2:21][C:22]([O:24][CH:25]4[CH2:40][C:39]([CH3:45])([CH3:44])[NH:38][C:37]([CH3:46])([CH3:42])[CH2:36]4)=[O:23])[N:16]=[C:12]3[CH:11]=2)(=[O:9])=[O:8])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1
Reaction #56605
Yield 103.4%DOI: 10.6084/m9.figshare.5104873.v1
[C:1]1([S:7]([C:10]2[CH:35]=[CH:34][C:13]3=[N:14][N:15]([C:17]4[CH:18]=[C:19]([CH:26]=[C:27]([C:30]([CH3:32])([CH3:31])[CH3:33])[C:28]=4[OH:29])[CH2:20][CH2:21][C:22]([O:24][CH:25]4[CH2:41][C:42]([CH3:44])([CH3:43])[N:37]([CH3:36])[C:38]([CH3:47])([CH3:46])[CH2:39]4)=[O:23])[N:16]=[C:12]3[CH:11]=2)(=[O:9])=[O:8])[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1
Reaction #56606
Yield 70.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:26]=[CH:25][C:5]2=[N:6][N:7]([C:9]3[CH:10]=[C:11]([CH:17]=[C:18]([C:21]([CH3:22])([CH3:23])[CH3:24])[C:19]=3[OH:20])[CH2:12][CH2:13][C:14]([O:16][CH:34]3[CH2:35][C:36]([CH3:38])([CH3:37])[N:31]([O:30][C:29]4[CH:42]=[CH:43][C:44]([Br:46])=[CH:45][C:28]=4[Br:27])[C:32]([CH3:41])([CH3:40])[CH2:33]3)=[O:15])[N:8]=[C:4]2[CH:3]=1
Reaction #56607
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:26]=[CH:25][C:5]2=[N:6][N:7]([C:9]3[CH:10]=[C:11]([CH:17]=[C:18]([C:21]([CH3:22])([CH3:23])[CH3:24])[C:19]=3[OH:20])[CH2:12][CH2:13][C:14]([O:16][CH:36]3[CH2:35][C:34]([CH3:43])([CH3:42])[N:33]([O:32][C:31]4[CH:44]=[CH:45][C:46]([Cl:48])=[CH:47][C:30]=4[N+:27]([O-:29])=[O:28])[C:38]([CH3:40])([CH3:39])[CH2:37]3)=[O:15])[N:8]=[C:4]2[CH:3]=1
Reaction #56608
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:10][C:3]1([CH3:11])[CH2:4][CH2:5][CH2:6][C:7]([CH3:9])([CH3:8])[N:2]1[O:1][C:20]1[CH:21]=[CH:22][C:23]([C:26]2[CH:58]=[CH:57][C:29]3=[N:30][N:31]([C:33]4[CH:38]=[C:37]([C:39]([CH2:42][C:43]([CH3:44])([CH3:45])[CH3:46])([CH3:41])[CH3:40])[CH:36]=[C:35]([C:47]([C:50]5[CH:51]=[CH:52][CH:53]=[CH:54][CH:55]=5)([CH3:48])[CH3:49])[C:34]=4[OH:56])[N:32]=[C:28]3[CH:27]=2)=[CH:24][CH:25]=1
Reaction #56609
Yield 87.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]=[CH:2][CH2:3][CH2:4][CH3:5]
Reaction #56610
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]=[CH:2][CH2:3][CH2:4][CH3:5]
Reaction #56611
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:25][O:6][C:5](=[O:7])[CH2:4][CH2:3][C:2](=[O:1])[C:8]1[CH:9]=[CH:10][C:11]([C:14]2[CH:19]=[CH:18][C:17]([O:20][C:21]([F:22])([F:23])[F:24])=[CH:16][CH:15]=2)=[CH:12][CH:13]=1
Reaction #56612
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:26]([NH:29][C:3](=[O:25])[CH2:4][CH2:5][C:6](=[O:24])[C:7]1[CH:8]=[CH:9][C:10]([C:13]2[CH:14]=[CH:15][C:16]([O:19][C:20]([F:22])([F:23])[F:21])=[CH:17][CH:18]=2)=[CH:11][CH:12]=1)[CH:27]=[CH2:28]
Reaction #56613
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:7]([N:10]1[C@@H:14]([C:15]2[CH:20]=[CH:19][C:18]([C:21]3[CH:26]=[CH:25][C:24]([O:27][C:28]([F:31])([F:30])[F:29])=[CH:23][CH:22]=3)=[CH:17][CH:16]=2)[CH2:13][CH2:12][C:11]1=[O:33])[CH:8]=[CH2:9]
Reaction #56614
DOI: 10.6084/m9.figshare.5104873.v1
[F:25][C:22]([F:23])([F:24])[O:21][C:18]1[CH:19]=[CH:20][C:15]([C:12]2[CH:13]=[CH:14][C:9]([C@@H:8]3[NH:4][C:5](=[O:26])[CH2:6][CH2:7]3)=[CH:10][CH:11]=2)=[CH:16][CH:17]=1
Reaction #56615
DOI: 10.6084/m9.figshare.5104873.v1
[C:20]([OH:21])(=[O:19])/[CH:22]=[CH:23]/[C:24]1[CH:25]=[CH:26][C:27]([OH:31])=[C:28]([OH:30])[CH:29]=1
Reaction #56616
DOI: 10.6084/m9.figshare.5104873.v1
[OH:23][C:5]1[C:4]([CH2:3][O:2][CH3:1])=[CH:21][C:20]2[C@@H:19]3[C@H:10]([C@H:11]4[C@@:15]([CH2:17][CH2:18]3)([CH3:16])[C:14](=[O:22])[CH2:13][CH2:12]4)[CH2:9][CH2:8][C:7]=2[CH:6]=1
Reaction #56617
Yield 37.3%DOI: 10.6084/m9.figshare.5104873.v1
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