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Dataset #273

[CH3:2][C:3]1[S:7][CH:6]=[C:5](/[CH:8]=[C:9](/[C@H:11]2[O:29][C:27](=[O:28])[CH2:26][C@H:25]([OH:30])[C:24]([CH3:32])([CH3:31])[C:22](=[O:23])[C@H:21]([CH3:33])[C@@H:20]([OH:34])[C@@H:19]([CH3:35])[CH2:18][CH2:17][CH2:16][CH:14]=[CH:13][CH2:12]2)\[CH3:10])[N:4]=1
Reaction #1256700
Yield 80.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:7][C:4]1[N:3]=[C:2]([NH:1][N:8]=[O:9])[S:6][N:5]=1
Reaction #1256701
Yield 50831.3%DOI: 10.6084/m9.figshare.5104873.v1
[C:8]([C:3]1[C:4]([CH3:7])=[N:5][S:6][C:2]=1[NH:1][N:10]=[O:11])#[N:9]
Reaction #1256702
Yield 51533.2%DOI: 10.6084/m9.figshare.5104873.v1
[Br:1][C:2]1[C:7]([CH3:8])=[CH:6][C:5]([O:9][CH3:11])=[CH:4][C:3]=1[CH3:10]
Reaction #1256703
Yield 99.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:10][O:9][C:5]1[CH:6]=[C:7]([CH3:8])[C:2]([B:17]([OH:22])[OH:18])=[C:3]([CH3:11])[CH:4]=1
Reaction #1256704
Yield 83.0%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:11][O:12][C:13]1[CH:18]=[C:17]([CH3:19])[C:16]([C:2]2[C:7]([CH3:8])=[CH:6][N:5]([OH:9])[CH2:4][C:3]=2[CH3:10])=[C:15]([CH3:23])[CH:14]=1
Reaction #1256705
Yield 1.8%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH3:19])[C:6]([C:10]2[C:15]([CH3:16])=[CH:14][N:13]=[CH:12][C:11]=2[CH3:18])=[C:7]([CH3:9])[CH:8]=1
Reaction #1256706
Yield 97.9%DOI: 10.6084/m9.figshare.5104873.v1
[I-:19]
Reaction #1256707
Yield 99.8%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:18][C:12]1[CH:13]=[N:14][CH:15]=[C:16]([CH3:17])[C:11]=1[C:7]1[C:8]([CH3:10])=[CH:9][C:4]([OH:3])=[CH:5][C:6]=1[CH3:19]
Reaction #1256708
DOI: 10.6084/m9.figshare.5104873.v1
[I-:18]
Reaction #1256709
Yield 99.4%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([CH3:24])[C:7]=1[C:8]1[C:13]([CH3:14])=[CH:12][C:11]([N:44]=[C:31]([C:32]2[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=2)[C:38]2[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=2)=[CH:10][C:9]=1[CH3:23]
Reaction #1256710
Yield 97.7%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:1][C:2]1[CH:3]=[N:4][CH:5]=[C:6]([CH3:30])[C:7]=1[C:8]1[C:13]([CH3:14])=[CH:12][C:11]([NH2:15])=[CH:10][C:9]=1[CH3:29]
Reaction #1256711
Yield 99.0%DOI: 10.6084/m9.figshare.5104873.v1
[I:26][C:18]1[CH:19]=[C:20]([CH3:21])[C:15]([C:14]2[C:9]([CH3:8])=[CH:10][N:11]=[CH:12][C:13]=2[CH3:24])=[C:16]([CH3:23])[CH:17]=1
Reaction #1256712
Yield 72.0%DOI: 10.6084/m9.figshare.5104873.v1
[C:1]([C:5]1[CH:6]=[C:7]([CH:8]=[CH2:9])[CH:13]=[C:14]([C:17]([CH3:20])([CH3:19])[CH3:18])[C:15]=1[OH:16])([CH3:4])([CH3:3])[CH3:2]
Reaction #1256713
Yield 90.2%DOI: 10.6084/m9.figshare.5104873.v1
[C:18]([C:22]1[CH:27]=[C:26]([CH:28]=[CH:29][C:2]2[CH:7]=[C:6]([CH3:8])[C:5]([C:9]3[C:14]([CH3:15])=[CH:13][N:12]=[CH:11][C:10]=3[CH3:16])=[C:4]([CH3:17])[CH:3]=2)[CH:25]=[C:24]([C:30]([CH3:33])([CH3:32])[CH3:31])[C:23]=1[OH:34])([CH3:21])([CH3:20])[CH3:19]
Reaction #1256714
Yield 91.2%DOI: 10.6084/m9.figshare.5104873.v1
[I-:34]
Reaction #1256715
Yield 95.4%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:22][C:21]1[CH:20]=[N:19][CH:18]=[C:17]([CH3:23])[C:16]=1[C:12]1[C:11]([CH3:24])=[CH:10][C:9]([CH:4]([C:3]#[N:7])[C:5]#[N:6])=[CH:14][C:13]=1[CH3:15]
Reaction #1256716
Yield 95.5%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:19][C:20]1[C:25](=[C:26]2[C:31]([CH3:32])=[CH:30][C:29](=[C:33]([C:34]#[N:35])[C:36]#[N:37])[CH:28]=[C:27]2[CH3:38])[C:24]([CH3:39])=[CH:23][N:22]([CH2:9][CH:10]([CH2:16][CH2:17][CH3:18])[CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])[CH:21]=1
Reaction #1256717
Yield 66.9%DOI: 10.6084/m9.figshare.5104873.v1
[CH:15]([C:12]1[CH:13]=[CH:14][C:9]([CH:4]([C:3]#[N:7])[C:5]#[N:6])=[CH:10][CH:11]=1)=[CH2:16]
Reaction #1256718
Yield 71.8%DOI: 10.6084/m9.figshare.5104873.v1
[CH3:16][C:10]1[CH:11]=[N:12][CH:13]=[C:14]([CH3:15])[C:9]=1[C:5]1[C:6]([CH3:8])=[CH:7][C:2]([CH:19]=[CH:18][C:20]2[CH:25]=[CH:24][C:23]([CH:26]([C:27]#[N:28])[C:29]#[N:30])=[CH:22][CH:21]=2)=[CH:3][C:4]=1[CH3:17]
Reaction #1256719
Yield 55.4%DOI: 10.6084/m9.figshare.5104873.v1
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