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Dataset #45

[CH2:25]([N:22]1[CH2:23][CH2:24][N:19]([C:14]2[CH:15]=[CH:16][CH:17]=[C:18]3[C:13]=2[CH:12]=[CH:11][N:10]3[S:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)(=[O:9])=[O:8])[CH2:20][CH2:21]1)[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1
Reaction #312609
DOI: 10.6084/m9.figshare.5104873.v1
[N:11]1([C:2]2[C:10]3[NH:9][CH:8]=[N:7][C:6]=3[CH:5]=[CH:4][CH:3]=2)[CH2:17][CH2:16][CH2:15][NH:14][CH2:13][CH2:12]1
Reaction #312610
DOI: 10.6084/m9.figshare.5104873.v1
[CH2:1]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[CH:19]=[CH:18][CH:17]=[C:16]3[C:15]=2[CH:21]=[N:24][NH:25]3)[CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
Reaction #312611
Yield 53.0%DOI: 10.6084/m9.figshare.5104873.v1
[ClH:34]
Reaction #312612
Yield 91.0%DOI: 10.6084/m9.figshare.5104873.v1
[ClH:32]
Reaction #312613
Yield 63.0%DOI: 10.6084/m9.figshare.5104873.v1
[N:1]1([C:2]2[CH:3]=[C:4]3[C:8](=[CH:9][CH:10]=2)[NH:7][CH:6]=[CH:5]3)[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]1
Reaction #312614
Yield 100.0%DOI: 10.6084/m9.figshare.5104873.v1
[Cl:15][C:4]1[CH:3]=[C:2]([NH:1][C:17]([N:36]2[CH2:37][CH2:38][CH2:39][N:35]2[C:40]([O:42][C:43]([CH3:46])([CH3:45])[CH3:44])=[O:41])=[O:18])[CH:7]=[CH:6][C:5]=1[N:8]1[CH2:13][CH2:12][O:11][CH2:10][C:9]1=[O:14]
Reaction #312615
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][CH2:2][CH:3]([CH2:4][Br:5])[O:6][Si:16]([C:12]([CH3:15])([CH3:14])[CH3:13])([CH3:19])[CH3:18]
Reaction #312616
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:28][N:29]1[CH2:34][CH2:33][N:32]([C:2]2[CH:7]=[C:6]([NH:8][C:9]3[NH:10][N:11]=[C:12]([CH3:14])[CH:13]=3)[N:5]=[C:4]([S:15][C:16]3[CH:21]=[CH:20][C:19]([NH:22][C:23]([CH:25]4[CH2:27][CH2:26]4)=[O:24])=[CH:18][CH:17]=3)[N:3]=2)[CH2:31][CH2:30]1
Reaction #312617
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:14][C:15]1[CH:20]=[C:19]([Cl:21])[N:18]=[C:17]([O:11][C:8]2[CH:9]=[CH:10][C:5]([NH:4][C:1](=[O:3])[CH3:2])=[CH:6][CH:7]=2)[N:16]=1
Reaction #312618
Yield 95.3%DOI: 10.6084/m9.figshare.5104873.v1
[CH:24]1([CH2:23][N:1]2[C:9]3[C:4](=[CH:5][C:6]([C:10]([N:12]4[CH2:13][CH2:14][N:15]([CH:18]([CH3:20])[CH3:19])[CH2:16][CH2:17]4)=[O:11])=[CH:7][CH:8]=3)[CH:3]=[CH:2]2)[CH2:25][CH2:26][CH2:21][CH2:27]1
Reaction #312619
DOI: 10.6084/m9.figshare.5104873.v1
[CH:1]1([N:6]2[CH2:7][CH2:8][N:9]([C:12]([C:14]3[CH:22]=[CH:21][CH:20]=[C:19]4[C:15]=3[CH:16]=[CH:17][N:18]4[CH:24]([CH3:33])[C:25]([C:27]3[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=3)=[O:26])=[O:13])[CH2:10][CH2:11]2)[CH2:5][CH2:4][CH2:3][CH2:2]1
Reaction #312620
Yield 6.1%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:3]=[C:6]([C:7]([N:23]2[CH2:24][C@H:25]([CH3:27])[O:26][C@H:21]([CH3:20])[CH2:22]2)=[C:8]([F:11])[C:9]=1[F:10])[CH:28]=[O:31]
Reaction #312621
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:8][CH:6]1[O:7][CH:2]([CH3:1])[CH2:3][N:4]([C:9]2[C:16]([F:17])=[C:15]([F:18])[C:14]([C:29]3[CH:34]=[N:33][CH:32]=[CH:31][N:30]=3)=[CH:13][C:10]=2[CH:11]=[O:12])[CH2:5]1
Reaction #312622
Yield 68.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:8][CH:6]1[O:7][CH:2]([CH3:1])[CH2:3][N:4]([C:9]2[C:16]([F:17])=[C:15]([F:18])[C:14]([C:39]3[CH:44]=[N:43][CH:42]=[CH:41][N:40]=3)=[CH:13][C:10]=2[CH:11]=[O:12])[CH2:5]1
Reaction #312623
Yield 39.5%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[C:3]([F:12])=[C:4]([F:11])[C:5]([N:23]2[CH2:22][CH:21]([CH3:20])[O:26][CH:25]([CH3:27])[CH2:24]2)=[C:6]([CH:9]=1)[CH:7]=[O:8]
Reaction #312624
Yield 90.6%DOI: 10.6084/m9.figshare.5104873.v1
[NH2:53][C:50]1[N:51]=[CH:52][C:47]([C:14]2[C:15]([F:18])=[C:16]([F:17])[C:9]([N:4]3[CH2:5][CH:6]([CH3:8])[O:7][CH:2]([CH3:1])[CH2:3]3)=[C:10]([CH:13]=2)[CH:11]=[O:12])=[N:48][CH:49]=1
Reaction #312625
Yield 35.9%DOI: 10.6084/m9.figshare.5104873.v1
[Br:38][C:39]1[N:40]=[CH:41][C:42]([C:14]2[C:15]([F:18])=[C:16]([F:17])[C:9]([N:4]3[CH2:5][CH:6]([CH3:8])[O:7][CH:2]([CH3:1])[CH2:3]3)=[C:10]([CH:13]=2)[CH:11]=[O:12])=[N:43][CH:44]=1
Reaction #312626
Yield 64.5%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:23][CH:18]1[O:19][CH:20]([CH3:22])[CH2:21][N:16]([C:11]2[C:10]([F:24])=[C:9]([F:25])[C:8]([C:5]3[CH:4]=[N:3][C:2]([CH3:26])=[CH:7][N:6]=3)=[CH:15][C:12]=2[CH:13]=[O:14])[CH2:17]1
Reaction #312627
Yield 41.8%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:7]=[C:6]([CH3:8])[C:5]([C:9]2[C:13]3[N:14]=[C:15]([CH3:19])[N:16]=[C:17]([N:22]4[CH2:27][CH2:26][CH:25]([CH2:28][OH:29])[CH2:24][CH2:23]4)[C:12]=3[S:11][C:10]=2[CH3:20])=[C:4]([CH3:21])[CH:3]=1
Reaction #312628
Yield 94.2%DOI: 10.6084/m9.figshare.5104873.v1
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