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Dataset #385

[CH:15]1[C:20]2[CH:21]=[C:8]([C:24]3[CH:23]=[C:22]([B:33]([OH:38])[OH:34])[CH:27]=[CH:26][CH:25]=3)[C:4]3[C:3](=[CH:2][CH:7]=[CH:6][CH:5]=3)[C:19]=2[CH:18]=[CH:17][CH:16]=1
Reaction #1747845
Yield 67.0%DOI: 10.6084/m9.figshare.5104873.v1
[Br:18][C:19]1[CH:24]=[CH:23][C:22]([C:12]2[C:11]3[C:6]([C:5]4[CH:4]=[CH:3][CH:2]=[CH:1][C:14]=4[CH:13]=2)=[CH:7][CH:8]=[CH:9][CH:10]=3)=[CH:21][CH:20]=1
Reaction #1747846
Yield 72.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH:19]1[C:20]2[CH:21]=[C:8]([C:5]3[CH:6]=[CH:7][C:2]([B:33]([OH:38])[OH:34])=[CH:3][CH:4]=3)[C:9]3[C:14](=[CH:13][CH:12]=[CH:11][CH:10]=3)[C:15]=2[CH:16]=[CH:17][CH:18]=1
Reaction #1747847
Yield 72.4%DOI: 10.6084/m9.figshare.5104873.v1
[F:17][C:18]([F:24])([F:23])[C:19]([NH:5][C@@H:4]([CH2:6][C:7]1[CH:14]=[C:12]([OH:13])[C:10]([OH:11])=[CH:9][CH:8]=1)[C:2]([OH:3])=[O:1])=[O:20]
Reaction #1747848
DOI: 10.6084/m9.figshare.5104873.v1
[CH:40]1[CH:45]=[CH:44][C:43]([C:49]([OH:51])=[O:50])=[C:42]([C:52]2[C:53]3[CH:58]=[CH:57][C:56]([OH:59])=[CH:55][C:54]=3[O:60][C:61]3[C:62]=2[CH:63]=[CH:64][C:65]([CH:66]=3)=[O:67])[CH:41]=1
Reaction #1747849
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][CH2:2][CH2:3][C:4]([CH2:11][O:12][C:13]([NH:15][CH:16]([CH3:17])[CH3:18])=[O:14])([CH2:6][O:7][C:8]([NH2:10])=[O:9])[CH3:5]
Reaction #1747850
DOI: 10.6084/m9.figshare.5104873.v1
[NH2:19][C:20]([NH2:22])=[O:21]
Reaction #1747851
DOI: 10.6084/m9.figshare.5104873.v1
[C:7]1([NH:10][C:11]([NH2:13])=[S:12])[CH:8]=[CH:9][CH:4]=[CH:5][CH:6]=1
Reaction #1747852
DOI: 10.6084/m9.figshare.5104873.v1
[S:12]([CH2:2][C:3]([C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)=[O:4])[C:13]#[N:14]
Reaction #1747853
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:17][N:6]1[C:7]2[CH:8]=[CH:9][C:10]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)=[CH:11][C:12]=2[S:13][C:14]2[C:5]1=[CH:4][CH:3]=[C:2]([C:2]1[CH:3]=[CH:4][CH:5]=[CH:14][CH:15]=1)[CH:15]=2
Reaction #1747854
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:17][N:6]1[C:7]2[CH:8]=[CH:9][C:10]([C:18]3[C:27]4[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=4)[CH:21]=[CH:20][CH:19]=3)=[CH:11][C:12]=2[S:13][C:14]2[C:5]1=[CH:4][CH:3]=[C:2]([C:26]1[C:27]3[C:22](=[CH:21][CH:20]=[CH:19][CH:18]=3)[CH:23]=[CH:24][CH:25]=1)[CH:15]=2
Reaction #1747855
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][N:2]1[C:15]2[CH:14]=[CH:13][C:12]([C:16]3[C:25]4[C:20](=[CH:21][CH:22]=[CH:23][CH:24]=4)[CH:19]=[CH:18][CH:17]=3)=[CH:11][C:10]=2[S:9](=[O:45])(=[O:26])[C:8]2[C:3]1=[CH:4][CH:5]=[C:6]([C:27]1[C:36]3[C:31](=[CH:32][CH:33]=[CH:34][CH:35]=3)[CH:30]=[CH:29][CH:28]=1)[CH:7]=2
Reaction #1747856
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:17][N:6]1[C:7]2[CH:8]=[CH:9][C:10]([C:19]3[CH:20]=[CH:21][C:22]4[C:27](=[CH:26][CH:25]=[CH:24][CH:23]=4)[CH:18]=3)=[CH:11][C:12]=2[S:13][C:14]2[C:5]1=[CH:4][CH:3]=[C:2]([C:20]1[CH:19]=[CH:18][C:27]3[C:22](=[CH:23][CH:24]=[CH:25][CH:26]=3)[CH:21]=1)[CH:15]=2
Reaction #1747857
Yield 82.1%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][N:2]1[C:3]2[CH:4]=[CH:5][C:6]([C:27]3[CH:36]=[CH:35][C:34]4[C:29](=[CH:30][CH:31]=[CH:32][CH:33]=4)[CH:28]=3)=[CH:7][C:8]=2[S:9](=[O:45])(=[O:26])[C:10]2[C:15]1=[CH:14][CH:13]=[C:12]([C:16]1[CH:25]=[CH:24][C:23]3[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=3)[CH:17]=1)[CH:11]=2
Reaction #1747858
DOI: 10.6084/m9.figshare.5104873.v1
[C:2]1([C:5]([C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=2)=[CH:24][C:12]2[CH:11]=[CH:10][C:9]3[N:8]([CH3:7])[C:21]4[C:16]([S:15][C:14]=3[CH:13]=2)=[CH:17][C:18]([CH:22]=[C:26]([C:27]2[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=2)[C:33]2[CH:34]=[CH:35][CH:36]=[CH:37][CH:38]=2)=[CH:19][CH:20]=4)[CH:3]=[CH:17][CH:16]=[CH:21][CH:1]=1
Reaction #1747859
DOI: 10.6084/m9.figshare.5104873.v1
[C:2]1([C:5]([C:7]2[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=2)=[CH:27][C:23]2[CH:24]=[CH:25][C:26]3[N:13]([C:7]4[CH:8]=[CH:9][CH:10]=[CH:11][CH:12]=4)[C:14]4[C:19]([S:20][C:21]=3[CH:22]=2)=[CH:18][C:17]([CH:29]=[C:31]([C:32]2[CH:33]=[CH:34][CH:35]=[CH:36][CH:37]=2)[C:38]2[CH:39]=[CH:40][CH:41]=[CH:42][CH:43]=2)=[CH:16][CH:15]=4)[CH:3]=[CH:19][CH:14]=[CH:15][CH:1]=1
Reaction #1747860
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:7][N:8]1[C:21]2[CH:20]=[CH:3][C:2]([CH:5]=[CH:45][C:42]3[CH:41]=[CH:40][C:39]([C:36]4[CH:35]=[CH:34][C:33]([CH:32]=[CH:22][C:18]5[CH:19]=[CH:20][C:21]6[N:8]([CH3:7])[C:9]7[C:14]([S:15][C:16]=6[CH:17]=5)=[CH:13][CH:12]=[CH:11][CH:10]=7)=[CH:38][CH:37]=4)=[CH:44][CH:43]=3)=[CH:1][C:16]=2[S:15][C:14]2[C:9]1=[CH:10][CH:11]=[CH:12][CH:13]=2
Reaction #1747861
DOI: 10.6084/m9.figshare.5104873.v1
[CH3:7][N:8]1[C:21]2[CH:20]=[CH:3][C:2]([CH:5]=[CH:47][C:44]3[CH:43]=[CH:42][C:41]([C:38]4[CH:37]=[CH:36][C:35]([CH:34]=[CH:22][C:18]5[CH:19]=[CH:20][C:21]6[N:8]([CH3:7])[C:9]7[C:14]([S:15](=[O:25])(=[O:24])[C:16]=6[CH:17]=5)=[CH:13][CH:12]=[CH:11][CH:10]=7)=[CH:40][CH:39]=4)=[CH:46][CH:45]=3)=[CH:1][C:16]=2[S:15](=[O:25])(=[O:24])[C:14]2[C:9]1=[CH:10][CH:11]=[CH:12][CH:13]=2
Reaction #1747862
DOI: 10.6084/m9.figshare.5104873.v1
[C:7]1([N:13]2[C:26]3[CH:25]=[CH:24][C:23]([CH:27]=[CH:50][C:47]4[CH:46]=[CH:45][C:44]([C:41]5[CH:40]=[CH:39][C:38]([CH:37]=[CH:1][C:2]6[CH:5]=[CH:25][C:26]7[N:13]([C:7]8[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=8)[C:14]8[C:19]([S:20][C:21]=7[CH:3]=6)=[CH:18][CH:17]=[CH:16][CH:15]=8)=[CH:43][CH:42]=5)=[CH:49][CH:48]=4)=[CH:22][C:21]=3[S:20][C:19]3[C:14]2=[CH:15][CH:16]=[CH:17][CH:18]=3)[CH:12]=[CH:11][CH:10]=[CH:9][CH:8]=1
Reaction #1747863
DOI: 10.6084/m9.figshare.5104873.v1
[C:7]1([N:13]2[C:26]3[CH:25]=[CH:3][C:2]([CH:5]=[CH:52][C:49]4[CH:48]=[CH:47][C:46]([C:43]5[CH:42]=[CH:41][C:40]([CH:39]=[CH:27][C:23]6[CH:24]=[CH:25][C:26]7[N:13]([C:7]8[CH:8]=[CH:9][CH:10]=[CH:11][CH:12]=8)[C:14]8[C:19]([S:20](=[O:30])(=[O:29])[C:21]=7[CH:22]=6)=[CH:18][CH:17]=[CH:16][CH:15]=8)=[CH:45][CH:44]=5)=[CH:51][CH:50]=4)=[CH:1][C:21]=3[S:20](=[O:30])(=[O:29])[C:19]3[C:14]2=[CH:15][CH:16]=[CH:17][CH:18]=3)[CH:8]=[CH:9][CH:10]=[CH:11][CH:12]=1
Reaction #1747864
DOI: 10.6084/m9.figshare.5104873.v1
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