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Dataset #496

[CH3:22][C:21]([C:23]1[CH:28]=[CH:27][C:26]([OH:29])=[CH:25][CH:24]=1)([C:30]1[CH:35]=[CH:34][C:33]([OH:36])=[CH:32][CH:31]=1)[CH3:20]
Reaction #2195466
DOI: 10.6084/m9.figshare.5104873.v1
[Br-:17]
Reaction #2195467
Yield 68.4%DOI: 10.6084/m9.figshare.5104873.v1
[Br-:1]
Reaction #2195468
Yield 30.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:24][CH2:25][CH2:26][N:27]([CH2:34][CH3:35])[C:28]1[CH:33]=[CH:32][C:31](/[N:12]=[N:6]/[C:7]2[NH:8][CH:9]=[CH:10][N:11]=2)=[CH:30][CH:29]=1
Reaction #2195469
Yield 37.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH:7]1[C:6]2[C:12]3[CH:13]=[CH:14][CH:15]=[CH:16][C:17]=3[S:3][C:11]=2[CH:10]=[CH:9][CH:8]=1
Reaction #2195470
DOI: 10.6084/m9.figshare.5104873.v1
[OH:40][CH2:41][C:42]1([CH2:46][OH:47])[C:36]2[C:35](=[CH:34][CH:33]=[C:32]([CH2:31][C:28]([OH:30])=[O:29])[CH:37]=2)[N:38]=[C:43]1[CH3:44]
Reaction #2195471
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:26]1[N:5]([CH2:2][C:1]([OH:4])=[O:3])[CH2:14][CH2:13][N:8]([CH2:9][C:10]([OH:12])=[O:11])[CH2:7][CH2:6][N:17]([CH2:29][C:30]([OH:32])=[O:31])[CH2:18][CH2:19][N:20]([CH2:21][C:22]([OH:24])=[O:23])[CH2:25]1
Reaction #2195472
DOI: 10.6084/m9.figshare.5104873.v1
[CH:5]1[C:6]2[C:2]3[CH:3]=[CH:4][CH:5]=[CH:6][C:1]=3[O:7][C:1]=2[CH:2]=[CH:3][CH:4]=1
Reaction #2195473
DOI: 10.6084/m9.figshare.5104873.v1
[C:10]1([CH:16]([C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[OH:27])[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1
Reaction #2195474
Yield 83.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:23][O:22][C:19]1[CH:18]=[CH:17][C:16]([C:15]([O:6][CH2:5][CH:4]([OH:7])[CH2:3][N:2]([CH3:8])[CH3:1])([C:24]2[CH:25]=[CH:26][CH:27]=[CH:28][CH:29]=2)[C:14]2[CH:31]=[CH:32][C:11]([O:10][CH3:9])=[CH:12][CH:13]=2)=[CH:21][CH:20]=1
Reaction #2195475
Yield 105.3%DOI: 10.6084/m9.figshare.5104873.v1
[S:28]([O:19][CH2:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]/[CH:9]=[CH:10]\[CH2:11]/[CH:12]=[CH:13]\[CH2:14][CH2:15][CH2:16][CH2:17][CH3:18])(=[O:30])(=[O:29])[CH3:27]
Reaction #2195476
Yield 97.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:40][N:2]([CH3:1])[CH2:3][CH:4]([O:7][CH:8]([O:12][C@H:13]1[CH2:37][CH2:36][C@@:35]2([CH3:38])[C:15](=[CH:16][CH2:17][C@@H:18]3[C@@H:34]2[CH2:33][CH2:32][C@@:31]2([CH3:39])[C@H:19]3[CH2:20][CH2:21][C@@H:22]2[C@H:23]([CH3:30])[CH2:24][CH2:25][CH2:26][CH:27]([CH3:28])[CH3:29])[CH2:14]1)[CH2:9][CH2:10][CH3:11])[CH2:5][O:6][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55]/[CH:56]=[CH:57]\[CH2:58]/[CH:59]=[CH:60]\[CH2:61][CH2:62][CH2:63][CH2:64][CH3:65]
Reaction #2195477
Yield 81.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:22]([O:1][C:2]1[C:3]([O:14][CH2:11][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]/[CH:29]=[CH:30]\[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38])=[C:4]([CH:7]=[CH:8][CH:9]=1)[CH:5]=[O:6])[CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]/[CH:30]=[CH:31]\[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39]
Reaction #2195478
Yield 89.2%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:5]([C:4]1[C:3]([CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28][CH2:29]/[CH:30]=[CH:31]\[CH2:32]/[CH:33]=[CH:34]\[CH2:35][CH2:36][CH2:37][CH2:38][CH3:39])=[C:2]([CH:9]=[CH:8][CH:7]=1)[CH:11]=[O:14])[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]/[CH:29]=[CH:30]\[CH2:31]/[CH:32]=[CH:33]\[CH2:34][CH2:35][CH2:36][CH2:37][CH3:38]
Reaction #2195479
Yield 98.7%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:2][N:3]([CH2:27][C:26]1[CH:29]=[CH:30][C:31]([O:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]/[CH:41]=[CH:42]\[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH3:50])=[C:24]([O:23][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]/[CH:13]=[CH:14]\[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[CH:25]=1)[CH3:4]
Reaction #2195480
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:2][N:3]([CH2:27][C:26]1[CH:29]=[CH:30][C:31]([O:32][CH2:33][CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]/[CH:41]=[CH:42]\[CH2:43]/[CH:44]=[CH:45]\[CH2:46][CH2:47][CH2:48][CH2:49][CH3:50])=[C:24]([O:23][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]/[CH:13]=[CH:14]\[CH2:15]/[CH:16]=[CH:17]\[CH2:18][CH2:19][CH2:20][CH2:21][CH3:22])[CH:25]=1)[CH3:4]
Reaction #2195481
Yield 74.4%DOI: 10.6084/m9.figshare.5104873.v1
[Cl-:17]
Reaction #2195482
DOI: 10.6084/m9.figshare.5104873.v1
[Br-:33]
Reaction #2195483
DOI: 10.6084/m9.figshare.5104873.v1
[Br-:10]
Reaction #2195484
DOI: 10.6084/m9.figshare.5104873.v1
[S:9]([O-:14])([OH:12])(=[O:11])=[O:10]
Reaction #2195485
DOI: 10.6084/m9.figshare.5104873.v1
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