Acetic Acid → 6-Cyclobutyl-2-[4-(methylsulfonyl)phenyl]-2,4,5,6,7,8-hexahydropyrazolo[3,4-d]azepine
Reaction equation
[C:21]1(=[O:25])[CH2:22][CH2:23][CH2:24]1.[C:30]([O:31][BH-:32]([O:33][C:34](=[O:35])[CH3:36])[O:37][C:38](=[O:39])[CH3:40])(=[O:41])[CH3:42].[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[n:12][c:13]3[c:19]([cH:20]2)[CH2:18][CH2:17][NH:16][CH2:15][CH2:14]3)[cH:9][cH:10]1.[CH3:26][C:27](=[O:28])[OH:29].[CH3:47][OH:48].[Cl:44][CH2:45][Cl:46].[Na+:43]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8](-[n:11]2[n:12][c:13]3[c:19]([cH:20]2)[CH2:18][CH2:17][N:16]([CH:21]2[CH2:22][CH2:23][CH2:24]2)[CH2:15][CH2:14]3)[cH:9][cH:10]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-c9d73c4d92b2475b97d3b92f85bb733a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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