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Dataset #436

[CH3:10][CH:11]([CH2:14][CH2:15][C:16]#[N:17])[C:12]#[N:13]
Reaction #1914828
DOI: 10.6084/m9.figshare.5104873.v1
[CH:1]([O:4][C:5]1[CH:6]=[CH:7][C:8]([CH2:11][C:12]2[C:13]([O:18][C@@H:28]3[O:29][C@H:24]([CH2:23][O:22][C:20](=[O:21])[CH3:19])[C@@H:25]([O:39][C:40](=[O:41])[CH3:42])[C@H:26]([O:35][C:36](=[O:37])[CH3:38])[C@H:27]3[O:31][C:32](=[O:33])[CH3:34])=[N:14][NH:15][C:16]=2[CH3:17])=[CH:9][CH:10]=1)([CH3:3])[CH3:2]
Reaction #1914829
Yield 39.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][S:2][C:3]1[CH:8]=[CH:7][C:6]([CH2:9][C:10]2[C:11]([O:19][C@@H:29]3[O:30][C@H:25]([CH2:24][O:23][C:21](=[O:22])[CH3:20])[C@@H:26]([O:40][C:41](=[O:42])[CH3:43])[C@H:27]([O:36][C:37](=[O:38])[CH3:39])[C@H:28]3[O:32][C:33](=[O:34])[CH3:35])=[N:12][NH:13][C:14]=2[C:15]([F:18])([F:17])[F:16])=[CH:5][CH:4]=1
Reaction #1914830
Yield 46.6%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([CH2:9][C:10]2[C:11]([O:16][C@@H:17]3[O:34][C@H:33]([CH2:35][O:36][C:37](=[O:39])[CH3:38])[C@@H:28]([O:29][C:30](=[O:32])[CH3:31])[C@H:23]([O:24][C:25](=[O:27])[CH3:26])[C@H:18]3[O:19][C:20](=[O:22])[CH3:21])=[N:12][N:13]([CH3:40])[C:14]=2[CH3:15])=[CH:7][CH:8]=1
Reaction #1914831
Yield 21.7%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:43][N:13]1[C:14]([C:15]([F:18])([F:17])[F:16])=[C:10]([CH2:9][C:6]2[CH:5]=[CH:4][C:3]([S:2][CH3:1])=[CH:8][CH:7]=2)[C:11]([O:19][C@@H:20]2[O:37][C@H:36]([CH2:38][O:39][C:40](=[O:42])[CH3:41])[C@@H:31]([O:32][C:33](=[O:35])[CH3:34])[C@H:26]([O:27][C:28](=[O:30])[CH3:29])[C@H:21]2[O:22][C:23](=[O:25])[CH3:24])=[N:12]1
Reaction #1914832
Yield 42.4%DOI: 10.6084/m9.figshare.5104873.v1
[C@@H:19]1([O:18][C:13]2[C:12]([CH2:11][C:8]3[CH:9]=[CH:10][C:5]([O:4][CH:1]([CH3:2])[CH3:3])=[CH:6][CH:7]=3)=[C:16]([CH3:17])[NH:15][N:14]=2)[O:36][C@H:35]([CH2:37][OH:38])[C@@H:30]([OH:31])[C@H:25]([OH:26])[C@H:20]1[OH:21]
Reaction #1914833
Yield 90.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:16][C:17]1[NH:21][N:20]=[C:19]([O:22][C@@H:23]2[O:40][C@H:39]([CH2:41][O:42][C:43](=[O:45])[CH3:44])[C@@H:34]([O:35][C:36](=[O:38])[CH3:37])[C@H:29]([O:30][C:31](=[O:33])[CH3:32])[C@H:24]2[O:25][C:26](=[O:28])[CH3:27])[C:18]=1[CH2:46][C:47]1[CH:48]=[CH:49][C:50]([CH3:53])=[CH:51][CH:52]=1
Reaction #1914834
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:17]([C:19]1[CH:24]=[CH:23][C:22]([CH2:25][C:26]2[C:27]([O:32][C@@H:33]3[O:50][C@H:49]([CH2:51][O:52][C:53](=[O:55])[CH3:54])[C@@H:44]([O:45][C:46](=[O:48])[CH3:47])[C@H:39]([O:40][C:41](=[O:43])[CH3:42])[C@H:34]3[O:35][C:36](=[O:38])[CH3:37])=[N:28][NH:29][C:30]=2[CH3:31])=[CH:21][CH:20]=1)[CH3:18]
Reaction #1914835
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:19][C:20]1[CH:25]=[CH:24][C:23]([CH2:26][C:27]2[C:28]([O:36][C@@H:37]3[O:54][C@H:53]([CH2:55][O:56][C:57](=[O:59])[CH3:58])[C@@H:48]([O:49][C:50](=[O:52])[CH3:51])[C@H:43]([O:44][C:45](=[O:47])[CH3:46])[C@H:38]3[O:39][C:40](=[O:42])[CH3:41])=[N:29][NH:30][C:31]=2[C:32]([F:35])([F:34])[F:33])=[CH:22][CH:21]=1
Reaction #1914836
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:20]([C:22]1[CH:27]=[CH:26][C:25]([CH2:28][C:29]2[C:30]([O:38][C@@H:39]3[O:56][C@H:55]([CH2:57][O:58][C:59](=[O:61])[CH3:60])[C@@H:50]([O:51][C:52](=[O:54])[CH3:53])[C@H:45]([O:46][C:47](=[O:49])[CH3:48])[C@H:40]3[O:41][C:42](=[O:44])[CH3:43])=[N:31][NH:32][C:33]=2[C:34]([F:37])([F:36])[F:35])=[CH:24][CH:23]=1)[CH3:21]
Reaction #1914837
DOI: 10.6084/m9.figshare.5104873.v1
[CH:21]([C:24]1[CH:29]=[CH:28][C:27]([CH2:30][C:31]2[C:32]([O:40][C@@H:41]3[O:58][C@H:57]([CH2:59][O:60][C:61](=[O:63])[CH3:62])[C@@H:52]([O:53][C:54](=[O:56])[CH3:55])[C@H:47]([O:48][C:49](=[O:51])[CH3:50])[C@H:42]3[O:43][C:44](=[O:46])[CH3:45])=[N:33][NH:34][C:35]=2[C:36]([F:39])([F:38])[F:37])=[CH:26][CH:25]=1)([CH3:23])[CH3:22]
Reaction #1914838
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:19][C:20]1[CH:25]=[CH:24][C:23]([CH2:26][C:27]2[C:28]([O:36][C@@H:37]3[O:54][C@H:53]([CH2:55][O:56][C:57](=[O:59])[CH3:58])[C@@H:48]([O:49][C:50](=[O:52])[CH3:51])[C@H:43]([O:44][C:45](=[O:47])[CH3:46])[C@H:38]3[O:39][C:40](=[O:42])[CH3:41])=[N:29][NH:30][C:31]=2[C:32]([F:34])([F:33])[F:35])=[CH:22][CH:21]=1
Reaction #1914839
DOI: 10.6084/m9.figshare.5104873.v1
[C@@H:1]1([O:12][C:13]2[C:17]([CH2:18][C:19]3[CH:24]=[CH:23][C:22]([O:25][CH:26]([CH3:27])[CH3:28])=[CH:21][CH:20]=3)=[C:16]([CH3:29])[N:15]([CH2:37][CH2:38][CH3:39])[N:14]=2)[O:9][C@H:8]([CH2:10][OH:11])[C@@H:6]([OH:7])[C@H:4]([OH:5])[C@H:2]1[OH:3]
Reaction #1914840
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:29]([N:15]1[C:16]([CH3:27])=[C:17]([CH2:18][C:19]2[CH:24]=[CH:23][C:22]([O:25][CH3:26])=[CH:21][CH:20]=2)[C:13]([O:12][C@@H:1]2[O:9][C@H:8]([CH2:10][OH:11])[C@@H:6]([OH:7])[C@H:4]([OH:5])[C@H:2]2[OH:3])=[N:14]1)[CH3:30]
Reaction #1914841
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:30]([N:14]1[C:15]([CH3:16])=[C:11]([CH2:10][C:7]2[CH:8]=[CH:9][C:4]([O:3][CH2:1][CH3:2])=[CH:5][CH:6]=2)[C:12]([O:17][C@@H:18]2[O:26][C@H:25]([CH2:27][OH:28])[C@@H:23]([OH:24])[C@H:21]([OH:22])[C@H:19]2[OH:20])=[N:13]1)[CH3:31]
Reaction #1914842
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:29]([N:13]1[C:14]([CH3:15])=[C:10]([CH2:9][C:6]2[CH:7]=[CH:8][C:3]([CH2:1][CH3:2])=[CH:4][CH:5]=2)[C:11]([O:16][C@@H:17]2[O:25][C@H:24]([CH2:26][OH:27])[C@@H:22]([OH:23])[C@H:20]([OH:21])[C@H:18]2[OH:19])=[N:12]1)[CH3:30]
Reaction #1914843
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:8][C@@:9]12[C@H:19]3[C@@H:20]([OH:33])[CH2:21][C@:22]4([CH3:32])[C@@:26]([OH:31])([C:27]([CH2:29][OH:30])=[O:28])[CH2:25][CH2:24][C@H:23]4[C@@H:18]3[CH2:17][CH2:16][C:15]1=[CH:14][C:12](=[O:13])[CH2:11][CH2:10]2
Reaction #1914844
Yield 53.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:14][C@@:15]12[C@H:25]3[C@@H:26]([OH:39])[CH2:27][C@:28]4([CH3:38])[C@@:32]([OH:37])([C:33]([CH2:35][OH:36])=[O:34])[CH2:31][CH2:30][C@H:29]4[C@@H:24]3[CH2:23][CH2:22][C:21]1=[CH:20][C:18](=[O:19])[CH2:17][CH2:16]2
Reaction #1914845
DOI: 10.6084/m9.figshare.5104873.v1
[O:11]([C:12]1[CH:30]=[CH:29][C:26]([CH:27]=[O:28])=[CH:25][CH:32]=1)[CH2:10][CH2:9][O:8][CH2:7][CH2:6][O:5][CH2:4][CH2:3][O:2][CH3:1]
Reaction #1914846
Yield 70.0%DOI: 10.6084/m9.figshare.5104873.v1
[O:12]([C:13]1[CH:20]=[CH:19][C:16]([CH:17]=[O:18])=[CH:15][CH:14]=1)[CH2:2][CH2:3][O:4][CH2:5][CH2:6][O:7][CH2:8][CH2:9][O:10][CH3:11]
Reaction #1914847
Yield 71.2%DOI: 10.6084/m9.figshare.5104873.v1
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