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Dataset #323

[NH2:22][C:20]1[S:21][CH:2]=[C:3]([CH2:4][CH2:5][CH2:6][N:7]2[C:11](=[O:12])[C:10]3=[CH:13][CH:14]=[CH:15][CH:16]=[C:9]3[C:8]2=[O:17])[N:19]=1
Reaction #1509634
Yield 97.0%DOI: 10.6084/m9.figshare.5104873.v1
[OH-:12]
Reaction #1509635
DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([NH:24][C:19]2[CH:20]=[CH:21][CH:22]=[CH:23][C:18]=2[NH:17][C:11]2[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=2)=[O:7])=[CH:4][CH:3]=1
Reaction #1509636
DOI: 10.6084/m9.figshare.5104873.v1
[C:1]1([N:7]2[C:11]3[CH:12]=[CH:13][CH:14]=[CH:15][C:10]=3[N:9]=[C:8]2[C:16]2[CH:17]=[CH:18][C:19]([C:58]3[CH:57]=[CH:3][C:2]([N:38]4[C:50]5[CH:45]=[CH:46][CH:47]=[CH:48][C:49]=5[C:34]5[C:35]4=[CH:36][CH:37]=[CH:32][CH:33]=5)=[CH:1][CH:6]=3)=[CH:20][CH:21]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1
Reaction #1509637
Yield 47.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:14][C:15]1[CH:16]=[CH:17][C:18]([C:21]2[CH:26]=[CH:25][C:24]([N:12]3[C:11]4[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=4[C:5]4[C:13]3=[CH:1][CH:2]=[CH:3][CH:4]=4)=[CH:23][CH:22]=2)=[CH:19][CH:20]=1
Reaction #1509638
Yield 42.2%DOI: 10.6084/m9.figshare.5104873.v1
[Br:42][C:39]1[CH:40]=[CH:41][C:36]([C:33]2[CH:34]=[CH:35][C:30]([N:20]([C:21]3[CH:22]=[CH:23][C:24]([CH3:27])=[CH:25][CH:26]=3)[C:17]3[CH:16]=[CH:15][C:14]([CH3:28])=[CH:19][CH:18]=3)=[CH:31][CH:32]=2)=[CH:37][CH:38]=1
Reaction #1509639
Yield 3.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]2[O:7][C:12]3[CH:18]=[CH:17][CH:16]=[CH:15][C:13]=3[N:14]=2)=[CH:4][CH:3]=1
Reaction #1509640
Yield 87.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:28][C:25]1([CH3:27])[C:24]([CH3:30])([CH3:29])[O:23][B:22]([C:19]2[CH:20]=[CH:21][C:16]([C:8]3[O:33][C:11]4[CH:12]=[CH:13][CH:14]=[CH:15][C:10]=4[N:9]=3)=[CH:17][CH:18]=2)[O:26]1
Reaction #1509641
Yield 81.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:14][C:15]1[CH:16]=[CH:17][C:18]([C:21]2[CH:26]=[CH:25][C:24]([N:12]3[C:11]4[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=4[C:5]4[C:13]3=[CH:1][CH:2]=[CH:3][CH:4]=4)=[CH:23][CH:22]=2)=[CH:19][CH:20]=1
Reaction #1509642
Yield 42.2%DOI: 10.6084/m9.figshare.5104873.v1
[Br:30][C:27]1[CH:28]=[CH:29][C:24]([C:11]2[CH:12]=[CH:13][C:8]([N:7]([C:1]3[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=3)[C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)=[CH:9][CH:10]=2)=[CH:25][CH:26]=1
Reaction #1509643
Yield 87.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[CH:15]=[CH:14][C:13]2[C:4](=[C:5]([C:2]3[CH:15]=[CH:14][CH:13]=[CH:4][CH:3]=3)[C:6]3[C:11]([C:12]=2[C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)=[CH:10][C:9]([Br:17])=[CH:8][CH:7]=3)[CH:3]=1
Reaction #1509644
DOI: 10.6084/m9.figshare.5104873.v1
[Br-:1]
Reaction #1509645
DOI: 10.6084/m9.figshare.5104873.v1
[Br-:1]
Reaction #1509646
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:4][C:3]1([CH2:7][OH:8])[CH2:5][O:6][C:11]([CH3:13])([CH3:12])[O:1][CH2:2]1
Reaction #1509647
Yield 72.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:32]1([N:31]=[C:11]2[C:10]3[C:15](=[CH:16][C:17]4[C:8]([CH:9]=3)=[CH:7][C:6]3[C:19](=[CH:20][C:21]5[C:22](=[N:31][C:32]6[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=6)[C:23]([CH3:24])=[C:2]([CH3:1])[C:3](=[N:31][C:32]6[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=6)[C:4]=5[CH:5]=3)[CH:18]=4)[C:14](=[N:38][C:45]3[CH:44]=[CH:22][CH:23]=[CH:2][CH:1]=3)[C:13]([CH3:27])=[C:12]2[CH3:28])[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1
Reaction #1509648
Yield 280.9%DOI: 10.6084/m9.figshare.5104873.v1
[C:36]1([N:35]=[C:16]2[C:17]3[C:12](=[CH:11][C:10]4[C:19]([CH:18]=3)=[CH:20][C:21]3[C:8](=[CH:7][C:6]5[C:23]([CH:22]=3)=[CH:24][C:25]3[C:26](=[N:35][C:36]6[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=6)[C:27]([CH3:28])=[C:2]([CH3:1])[C:3](=[N:35][C:36]6[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=6)[C:4]=3[CH:5]=5)[CH:9]=4)[C:13](=[N:42][C:49]3[CH:48]=[CH:26][CH:27]=[CH:2][CH:1]=3)[C:14]([CH3:32])=[C:15]2[CH3:31])[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1
Reaction #1509649
Yield 56.5%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:14][C:12]1([CH3:15])[CH2:11][O:10][C:9]([CH2:8][CH2:7][C:6]2[CH:5]=[CH:4][S:3][CH:2]=2)=[N:13]1
Reaction #1509650
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[CH:15]([CH3:17])[CH3:16])=[C:4]([Cl:11])[N:3]=1
Reaction #1509651
DOI: 10.6084/m9.figshare.5104873.v1
[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[CH:11]([CH3:13])[CH3:12])=[C:4]([NH:15][CH2:16][CH2:17][C:18]2[CH:23]=[CH:22][C:21]([OH:24])=[CH:20][CH:19]=2)[N:3]=1
Reaction #1509652
DOI: 10.6084/m9.figshare.5104873.v1
[S:27]1[CH:26]=[C:25]([C:2]2[N:10]=[C:9]3[C:5]([N:6]=[CH:7][N:8]3[CH:11]([CH3:13])[CH3:12])=[C:4]([NH:14][CH2:15][CH2:16][C:17]3[CH:22]=[CH:21][C:20]([OH:23])=[CH:19][CH:18]=3)[N:3]=2)[C:33]2[CH:32]=[CH:31][CH:30]=[CH:29][C:28]1=2
Reaction #1509653
DOI: 10.6084/m9.figshare.5104873.v1
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