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Dataset #32

[CH2:21]([O:20][C:18](=[O:19])[CH2:17][N:8]1[C:9]2[C:4](=[C:3]([F:2])[CH:12]=[CH:11][C:10]=2[O:13][CH2:14][CH2:15][CH3:16])[C:5](=[O:39])[C:6]([C:23]2[CH:28]=[CH:27][C:26]([O:29][CH2:30][CH2:31][OH:32])=[CH:25][CH:24]=2)=[CH:7]1)[CH3:22]
Reaction #155348
Yield 89.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:30][C:31]1[CH:40]=[CH:39][C:38]([O:41][CH2:42][CH2:43][CH3:44])=[C:37]2[C:32]=1[C:33](=[O:53])[C:34]([C:45]1[CH:46]=[CH:47][C:48]([O:51][CH3:52])=[CH:49][CH:50]=1)=[CH:35][NH:36]2
Reaction #155349
Yield 58.0%DOI: 10.6084/m9.figshare.5104873.v1
[F:16][C:17]1[CH:26]=[CH:25][C:24]([O:27][CH2:28][CH2:29][CH3:30])=[C:23]2[C:18]=1[C:19](=[O:39])[C:20]([C:31]1[CH:32]=[CH:33][C:34]([O:37][CH3:38])=[CH:35][CH:36]=1)=[CH:21][NH:22]2
Reaction #155350
Yield 14.1%DOI: 10.6084/m9.figshare.5104873.v1
[F:13][C:14]1[CH:23]=[CH:22][C:21]([O:24][CH2:25][CH2:26][CH3:27])=[C:20]2[C:15]=1[C:16](=[O:38])[C:17]([C:30]1[CH:31]=[CH:32][C:33]([O:36][CH3:37])=[CH:34][CH:35]=1)=[C:18]([CH2:28][N:10]1[CH2:9][CH2:8][N:7]([C:2]3[CH:3]=[CH:4][CH:5]=[CH:6][N:1]=3)[CH2:12][CH2:11]1)[NH:19]2
Reaction #155351
Yield 35.4%DOI: 10.6084/m9.figshare.5104873.v1
[F:1][C:2]1[CH:11]=[CH:10][C:9]([O:12][CH2:13][CH2:14][CH3:15])=[C:8]2[C:3]=1[C:4](=[O:28])[C:5]([C:20]1[CH:21]=[CH:22][C:23]([O:26][CH3:27])=[CH:24][CH:25]=1)=[C:6]([CH2:16][OH:17])[NH:7]2
Reaction #155352
Yield 103.3%DOI: 10.6084/m9.figshare.5104873.v1
[ClH:7]
Reaction #155353
Yield 88.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:7][CH2:21][N:22]1[C:31]2[C:26](=[C:27]([F:36])[CH:28]=[CH:29][C:30]=2[O:32][CH2:33][CH2:34][CH3:35])[C:25](=[O:37])[C:24]([C:38]2[CH:43]=[CH:42][C:41]([O:44][CH3:45])=[CH:40][CH:39]=2)=[CH:23]1
Reaction #155354
Yield 92.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([O:8][CH2:9][C:10]([N:24]1[C:25]2[C:30](=[C:29]([F:31])[CH:28]=[CH:27][C:26]=2[O:32][CH2:33][CH2:34][CH3:35])[C:21](=[O:20])[C:22]([C:36]2[CH:37]=[CH:38][C:39]([O:42][CH3:43])=[CH:40][CH:41]=2)=[CH:23]1)=[O:11])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
Reaction #155355
Yield 15.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH:13][C:14]1[CH:15]=[CH:16][C:17]([C:18]([O:20][CH2:21][N:22]2[C:31]3[C:26](=[C:27]([F:36])[CH:28]=[CH:29][C:30]=3[O:32][CH2:33][CH2:34][CH3:35])[C:25](=[O:37])[C:24]([C:38]3[CH:39]=[CH:40][C:41]([O:44][CH3:45])=[CH:42][CH:43]=3)=[CH:23]2)=[O:19])=[CH:46][CH:47]=1
Reaction #155356
Yield 101.1%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:1][C@H:2]([C:8]([O-:10])=[O:9])[CH2:3][CH2:4][C:5]([OH:7])=[O:6]
Reaction #155357
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C@@H:2]([C@@H:9]1[C@@:13]2([CH3:28])[CH2:14][CH2:15][C@@H:16]3[C@@:25]4([CH3:26])[CH2:24][CH2:23][C@H:22]([OH:27])[CH2:21][C:20]4=[CH:19][CH:18]=[C:17]3[C@@H:12]2[CH2:11][CH2:10]1)[CH2:3][CH2:4][CH2:5][CH:6]([CH3:7])[CH3:8]
Reaction #155358
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:18][N:19]([CH2:24][CH2:25][CH2:26][NH:27][C:2]1[CH:3]=[CH:4][C:5]([N+:9]([O-:11])=[O:10])=[C:6]([CH3:8])[CH:7]=1)[CH2:20][CH2:21][CH2:22][NH:23][C:2]1[CH:3]=[CH:4][C:5]([N+:9]([O-:11])=[O:10])=[C:6]([CH3:8])[CH:7]=1
Reaction #155359
DOI: 10.6084/m9.figshare.5104873.v1
[C:31]1([CH3:44])[CH:32]=[CH:33][C:34]([S:37]([O-:40])(=[O:38])=[O:39])=[CH:35][CH:36]=1
Reaction #155360
DOI: 10.6084/m9.figshare.5104873.v1
[CH:31]1[C:29]2[C:30]3[CH:22]=[C:23]4[C:24]([C:35](=[O:40])[C:36]5[CH:44]=[CH:43][CH:42]=[CH:41][C:37]=5[C:38]4=[O:39])=[CH:25][C:26]=3[S:27][C:28]=2[CH:34]=[CH:33][CH:32]=1
Reaction #155361
DOI: 10.6084/m9.figshare.5104873.v1
[C:8]([C:7]1[CH:11]=[CH:12][CH:13]=[CH:14][C:6]=1[C:5]([C:26]1[CH:27]=[CH:28][C:22]2[S:21][C:20]3[CH:19]=[CH:18][CH:17]=[CH:16][C:24]=3[C:23]=2[CH:25]=1)=[O:15])([OH:10])=[O:9]
Reaction #155362
Yield 107.2%DOI: 10.6084/m9.figshare.5104873.v1
[CH:15]1[C:14]2[C:10]3[CH:9]=[C:8]4[C:20]([C:1](=[O:2])[C:4]5[CH:24]=[CH:23][CH:22]=[CH:21][C:5]=5[C:6]4=[O:7])=[CH:19][C:11]=3[S:12][C:13]=2[CH:18]=[CH:17][CH:16]=1
Reaction #155363
Yield 16.1%DOI: 10.6084/m9.figshare.5104873.v1
[C:6]([OH:8])(=[O:7])[CH:5]=[CH2:4]
Reaction #155364
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:3][CH:2]([CH2:4][CH:5]([NH:31][C:32]([CH2:34][NH:35][C:36]([CH:38]([NH:47][C:48]([CH:50]([NH:53][C:54]([CH:56]([NH:67][C:68]([CH:70]([NH:77][C:78]([CH:80]1[NH:85][C:83](=[O:84])[CH2:82][CH2:81]1)=[O:79])[CH2:71][C:72]1[NH:76][CH:75]=[N:74][CH:73]=1)=[O:69])[CH2:57][C:58]1[C:66]2[C:61](=[CH:62][CH:63]=[CH:64][CH:65]=2)[NH:60][CH:59]=1)=[O:55])[CH2:51][OH:52])=[O:49])[CH2:39][C:40]1[CH:41]=[CH:42][C:43]([OH:46])=[CH:44][CH:45]=1)=[O:37])=[O:33])[C:6]([NH:8][CH:9]([C:17]([N:19]1[CH:23]([C:24]([NH:26][CH2:27][C:28]([NH2:30])=[O:29])=[O:25])[CH2:22][CH2:21][CH2:20]1)=[O:18])[CH2:10][CH2:11][CH2:12][N:13]=[C:14]([NH2:16])[NH2:15])=[O:7])[CH3:1]
Reaction #155365
Yield 60.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][CH2:2][C@@H:3]([C@H:5]([N:36]([C:38]([C@@H:40]([NH:44][C:45]([C@@H:47]([N:51]([CH3:53])[CH3:52])[CH:48]([CH3:50])[CH3:49])=[O:46])[CH:41]([CH3:43])[CH3:42])=[O:39])[CH3:37])[C@H:6]([O:34][CH3:35])[CH2:7][C:8]([N:10]1[C@H:14]([C@H:15]([O:32][CH3:33])[C@H:16]([C:18]([NH:20][C@H:21]([C:29]([OH:31])=[O:30])[CH2:22][C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=2)=[O:19])[CH3:17])[CH2:13][CH2:12][CH2:11]1)=[O:9])[CH3:4]
Reaction #155366
Yield 68.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3](=[O:26])[CH2:4][CH2:5][N:6]([C:13](=[O:25])[C:14]1[CH:19]=[CH:18][C:17]([NH:20][CH3:21])=[C:16]([NH2:22])[CH:15]=1)[C:7]1[CH:8]=[CH:9][CH:10]=[CH:11][CH:12]=1
Reaction #155367
DOI: 10.6084/m9.figshare.5104873.v1
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