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Dataset #478

[NH2:12][C@@H:8]([CH2:7][CH2:6][N:3]([CH2:2][CH3:24])[CH2:20][CH3:21])[C:9]([OH:11])=[O:10]
Reaction #2122526
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:5][C@@H:6]([CH2:7][C:8]([O:10][CH3:21])=[O:9])[C:11]([O:13][CH2:14][C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1)=[O:12]
Reaction #2122527
DOI: 10.6084/m9.figshare.5104873.v1
[C:32]1([C:19]2([NH:1][C@@H:2]([CH2:13][C:14]([O:16][CH3:17])=[O:15])[C:3]([O:5][CH2:6][C:7]3[CH:8]=[CH:9][CH:10]=[CH:11][CH:12]=3)=[O:4])[C:31]3[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=3[C:25]3[C:20]2=[CH:21][CH:22]=[CH:23][CH:24]=3)[CH:33]=[CH:34][CH:35]=[CH:36][CH:37]=1
Reaction #2122528
DOI: 10.6084/m9.figshare.5104873.v1
[OH:45][CH2:44][C@@H:12]([CH3:11])[C@H:13]([NH:24][C:25]1([C:38]2[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=2)[C:26]2[CH:27]=[CH:28][CH:29]=[CH:30][C:31]=2[C:32]2[C:37]1=[CH:36][CH:35]=[CH:34][CH:33]=2)[C:14]([O:16][CH2:17][C:18]1[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=1)=[O:15]
Reaction #2122529
Yield 34.6%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:21][C@@H:22]1[CH2:54][O:26][C:24](=[O:25])[C@H:23]1[NH:34][C:35]1([C:36]2[CH:37]=[CH:38][CH:39]=[CH:40][CH:41]=2)[C:48]2[CH:53]=[CH:52][CH:51]=[CH:50][C:49]=2[C:46]2[C:47]1=[CH:42][CH:43]=[CH:44][CH:45]=2
Reaction #2122530
DOI: 10.6084/m9.figshare.5104873.v1
[Si:5]([O:14][CH2:15][C@@H:16]([CH3:48])[C@H:17]([NH:28][C:29]1([C:42]2[CH:47]=[CH:46][CH:45]=[CH:44][CH:43]=2)[C:30]2[CH:31]=[CH:32][CH:33]=[CH:34][C:35]=2[C:36]2[C:41]1=[CH:40][CH:39]=[CH:38][CH:37]=2)[C:18]([O:20][CH2:21][C:22]1[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=1)=[O:19])([C:2]([CH3:4])([CH3:3])[CH3:1])([CH3:7])[CH3:6]
Reaction #2122531
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:24][C@@H:13]([C@H:12]([CH3:44])[CH2:11][O:10][Si:3]([C:6]([CH3:9])([CH3:8])[CH3:7])([CH3:5])[CH3:4])[C:14]([OH:16])=[O:15]
Reaction #2122532
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:22][O:21][C:19]([NH:1][C@@H:2]([CH2:6][C:7]1[N:8]=[CH:9][N:10]([CH3:12])[CH:11]=1)[C:3]([OH:5])=[O:4])=[O:20]
Reaction #2122533
Yield 748.4%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:46]([N:36]1[CH:22]=[C:21]([CH2:20][C@H:9]([NH:8][C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:7])[C:10]([O:12][CH2:13][C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)=[O:11])[N:38]=[N:37]1)[C:43]1[CH:44]=[CH:45][CH:40]=[CH:41][CH:42]=1
Reaction #2122534
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([N:8]1[CH:12]=[C:11]([CH2:13][C@H:14]([NH:25][C:26]([O:28][CH3:29])=[O:27])[C:15]([O:17][CH2:18][C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)=[O:16])[N:10]=[N:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
Reaction #2122535
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:29][O:28][C:26]([NH:25][C@@H:14]([CH2:13][C:11]1[N:10]=[N:9][NH:8][CH:12]=1)[C:15]([OH:17])=[O:16])=[O:27]
Reaction #2122536
Yield 111.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH2:9]([O:8][C:7]([NH:6][C@@H:5]([CH2:4][N:17]1[CH:21]=[CH:20][CH:19]=[N:18]1)[C:2]([OH:3])=[O:1])=[O:16])[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1
Reaction #2122537
Yield 37.7%DOI: 10.6084/m9.figshare.5104873.v1
[C:11]1([C:5]2[CH:4]=[CH:11][CH:9]=[CH:11][CH:9]=2)[CH:9]=[CH:4][CH:5]=[CH:5][CH:4]=1
Reaction #2122538
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:8][C:5]1[N:4]=[CH:3][C:2]([C:14]([O:16][CH2:17][CH3:18])=[CH2:15])=[CH:7][N:6]=1
Reaction #2122539
Yield 73.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:3][C:4]1[N:9]=[CH:8][C:7]([C:10]2[N:14]([CH2:34][O:33][CH2:32][CH2:31][Si:28]([CH3:30])([CH3:29])[CH3:27])[C:13]([C@@H:15]3[CH2:19][CH2:18][CH2:17][N:16]3[C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])=[N:12][CH:11]=2)=[CH:6][N:5]=1
Reaction #2122540
Yield 85.6%DOI: 10.6084/m9.figshare.5104873.v1
[ClH:2]
Reaction #2122541
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:28][C:29]1[N:34]=[CH:33][C:32]([C:35]2[NH:39][CH:38]=[N:37][CH:36]=2)=[CH:31][N:30]=1
Reaction #2122542
Yield 25.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:61]([O:60][C:58]([N:54]1[CH2:55][CH2:56][CH2:57][C@H:53]1[C:43]1[N:44]([CH2:45][O:46][CH2:47][CH2:48][Si:49]([CH3:52])([CH3:51])[CH3:50])[C:40]([C:37]2[CH:36]=[N:35][C:34]([C:9]3[CH:10]=[CH:11][C:12]([C:15]4[NH:19][C:18]([C@@H:20]5[CH2:24][CH2:23][CH2:22][N:21]5[C:25]([O:27][C:28]([CH3:31])([CH3:30])[CH3:29])=[O:26])=[N:17][CH:16]=4)=[CH:13][CH:14]=3)=[N:39][CH:38]=2)=[CH:41][N:42]=1)=[O:59])([CH3:64])([CH3:63])[CH3:62]
Reaction #2122543
Yield 98.3%DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([O:5][C:6]([N:8]1[CH2:12][CH2:11][CH2:10][C@H:9]1[C:13]1[NH:14][C:15]([C:18]2[CH:23]=[N:22][C:21]([C:24]3[CH:29]=[CH:28][C:27]([C:30]4[NH:31][C:32]([C@@H:35]5[CH2:39][CH2:38][CH2:37][NH:36]5)=[N:33][CH:34]=4)=[CH:26][CH:25]=3)=[N:20][CH:19]=2)=[CH:16][N:17]=1)=[O:7])([CH3:4])([CH3:2])[CH3:3]
Reaction #2122544
Yield 56.4%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:53][O:52][C:50](=[O:51])[NH:49][C@H:42]([C:43]1[CH:44]=[CH:45][CH:46]=[CH:47][CH:48]=1)[C:41](=[O:54])[N:37]1[CH2:38][CH2:39][CH2:40][C@H:36]1[C:33]1[NH:32][C:31]([C:28]2[CH:29]=[CH:30][C:25]([C:22]3[N:23]=[CH:24][C:19]([C:16]4[NH:15][C:14]([C@@H:10]5[CH2:11][CH2:12][CH2:13][NH:9]5)=[N:18][CH:17]=4)=[CH:20][N:21]=3)=[CH:26][CH:27]=2)=[CH:35][N:34]=1
Reaction #2122545
DOI: 10.6084/m9.figshare.5104873.v1
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