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Dataset #424

[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][C:12]([O:14][CH2:15][CH:16]([OH:19])[CH2:17][OH:18])=[O:13]
Reaction #1857539
Yield 20.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH:1](/[C@@H:5]1[C@@H:7]([C:8]([O:10][CH2:33][C:32]2[C:35]([F:41])=[C:36]([F:40])[CH:37]=[C:38]([F:39])[C:31]=2[F:30])=[O:9])[C:6]1([CH3:12])[CH3:11])=[CH:2]\[CH:3]=[CH2:4]
Reaction #1857540
Yield 97.6%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:19][C:13]1[CH:14]=[C:15]([O:8][C:5]2[CH:6]=[CH:7][C:2]([Cl:1])=[CH:3][CH:4]=2)[CH:16]=[CH:17][C:12]=1[C:10](=[O:11])[CH3:9]
Reaction #1857541
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:8][C:9]1[CH:14]=[C:13]([O:15][C:16]2[CH:21]=[CH:20][C:19]([Cl:22])=[CH:18][CH:17]=2)[CH:12]=[CH:11][C:10]=1[C:23]1([CH3:4])[CH2:24][O:25]1
Reaction #1857542
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:7]=[C:6]([O:8][C:9]2[CH:14]=[CH:13][C:12]([Cl:15])=[CH:11][CH:10]=2)[CH:5]=[CH:4][C:3]=1[C:16]([OH:17])([CH3:19])[CH2:18][N:20]1[CH:24]=[N:23][CH:22]=[N:21]1
Reaction #1857543
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:27]([O:26][C:18]([C:5]1[CH:6]=[CH:7][C:8]([O:10][C:11]2[CH:12]=[CH:13][C:14]([Cl:17])=[CH:15][CH:16]=2)=[CH:9][C:4]=1[Cl:3])([CH3:25])[CH2:19][N:20]1[CH:24]=[N:23][CH:22]=[N:21]1)[C:28]1[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=1
Reaction #1857544
Yield 68.9%DOI: 10.6084/m9.figshare.5104873.v1
[Br:19][CH2:17][C:16]([C:3]1[CH:4]=[CH:5][C:6]([O:8][C:9]2[CH:14]=[CH:13][C:12]([Cl:15])=[CH:11][CH:10]=2)=[CH:7][C:2]=1[Cl:1])=[O:18]
Reaction #1857545
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:26][C:13]1[CH:14]=[C:15]([O:18][C:19]2[CH:24]=[CH:23][C:22]([Cl:25])=[CH:21][CH:20]=2)[CH:16]=[CH:17][C:12]=1[C:10](=[O:11])[CH2:9][N:1]1[CH:5]=[N:4][CH:3]=[N:2]1
Reaction #1857546
Yield 80.3%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[CH:7]=[C:6]([O:8][C:9]2[CH:10]=[CH:11][C:12]([Cl:15])=[CH:13][CH:14]=2)[CH:5]=[CH:4][C:3]=1[C:16]([O:25][CH3:31])([CH:23]=[CH2:24])[CH2:17][N:18]1[CH:22]=[N:21][CH:20]=[N:19]1
Reaction #1857547
DOI: 10.6084/m9.figshare.5104873.v1
[OH:28][C@H:29]([C@H:30]([CH2:11][CH:12]=[C:5]([CH3:6])[CH3:7])[C:31]([O:33][CH3:34])=[O:32])[CH3:35]
Reaction #1857548
Yield 86.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH:1][C@H:2]([C@H:4]([CH2:9][CH2:10][CH:11]([CH3:13])[CH3:12])[C:5]([O:7][CH3:8])=[O:6])[CH3:3]
Reaction #1857549
Yield 98.4%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:41][O:40][C:37]1[CH:38]=[CH:39][C:34]([CH2:33][O:1][C@H:2]([C@H:4]([CH2:9][CH2:10][CH:11]([CH3:13])[CH3:12])[C:5]([O:7][CH3:8])=[O:6])[CH3:3])=[CH:35][CH:36]=1
Reaction #1857550
Yield 77.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]([CH2:7][O:8][C@H:9]([C@H:11]([CH2:16][CH2:17][CH:18]([CH3:19])[CH3:20])[CH:12]=[O:13])[CH3:10])=[CH:21][CH:22]=1
Reaction #1857551
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([C@@H:8]([C@@H:11]([O:13][CH2:14][C:15]1[CH:16]=[CH:17][C:18]([O:21][CH3:22])=[CH:19][CH:20]=1)[CH3:12])[CH:9]=[O:10])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
Reaction #1857552
Yield 99.2%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:25]([O:15][C@H:12]([C@@H:11]([CH2:16][CH2:17][CH:18]([CH3:19])[CH3:20])[C@@H:9]([O:8][CH2:7][C:6]1[CH:5]=[CH:4][C:3]([O:2][CH3:1])=[CH:22][CH:21]=1)[CH3:10])[CH:13]=[CH2:14])[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1
Reaction #1857553
Yield 91.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:60]([O:59][C:57]([NH:56]/[C:45](=[CH:44]\[CH2:21][CH2:20][C@H:19]([O:22][CH2:23][CH2:24][CH3:25])[C@H:13]([C@@H:11]([O:10][CH2:9][C:6]1[CH:5]=[CH:4][C:3]([O:2][CH3:1])=[CH:8][CH:7]=1)[CH3:12])[CH2:14][CH2:15][CH:16]([CH3:17])[CH3:18])/[C:46]([O:48][CH2:49][C:50]1[CH:55]=[CH:54][CH:53]=[CH:52][CH:51]=1)=[O:47])=[O:58])([CH3:63])([CH3:62])[CH3:61]
Reaction #1857554
Yield 67.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:20][CH2:21][CH2:22][C@H:23]([O:42][CH2:43][CH2:44][CH3:45])[C@H:24]([C@@H:30]([O:32][CH2:33][C:34]1[CH:39]=[CH:38][C:37]([O:40][CH3:41])=[CH:36][CH:35]=1)[CH3:31])[CH2:25][CH2:26][CH:27]([CH3:29])[CH3:28])[C:10]([O:12][CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)=[O:11])=[O:7])([CH3:2])([CH3:3])[CH3:4]
Reaction #1857555
Yield 73.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:20][CH2:21][CH2:22][C@H:23]([O:42][CH2:43][CH2:44][CH3:45])[C@H:24]([C@@H:30]([OH:32])[CH3:31])[CH2:25][CH2:26][CH:27]([CH3:29])[CH3:28])[C:10]([O:12][CH2:13][C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)=[O:11])=[O:7])([CH3:2])([CH3:3])[CH3:4]
Reaction #1857556
Yield 92.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([O:8][C@H:9]([C@H:26]([C@@H:32]([OH:34])[CH3:33])[CH2:27][CH2:28][CH:29]([CH3:30])[CH3:31])[CH2:10][CH2:11][CH2:12][C@H:13]([NH:18][C:19]([O:21][C:22]([CH3:23])([CH3:25])[CH3:24])=[O:20])[C:14]([OH:16])=[O:15])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
Reaction #1857557
Yield 88.3%DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O:5][C:6]([NH:8][C@@H:9]([CH2:20][CH2:21][CH2:22][C@H:23]([O:33][CH2:34][CH2:35][CH3:36])[C@H:24]([C@@H:30]([OH:32])[CH3:31])[CH2:25][CH2:26][CH:27]([CH3:29])[CH3:28])[C:10]([OH:12])=[O:11])=[O:7])([CH3:2])([CH3:3])[CH3:4]
Reaction #1857558
Yield 98.1%DOI: 10.6084/m9.figshare.5104873.v1
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