Acetic Acid → 4-(6-Cyclobutyl-5,6,7,8-tetrahydropyrazolo[3,4-d]azepin-2(4H)-yl)benzonitrile
Reaction equation
[C:19]1(=[O:23])[CH2:20][CH2:21][CH2:22]1.[C:24]([O:25][BH-:26]([O:27][C:28](=[O:29])[CH3:30])[O:31][C:32](=[O:33])[CH3:34])(=[O:35])[CH3:36].[CH3:38][OH:39].[CH3:43][C:44](=[O:45])[OH:46].[Cl:40][CH2:41][Cl:42].[Na+:37].[n:1]1[n:2](-[c:11]2[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]2)[cH:3][c:4]2[c:5]1[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]2>>[n:1]1[n:2](-[c:11]2[cH:12][cH:13][c:14]([C:15]#[N:16])[cH:17][cH:18]2)[cH:3][c:4]2[c:5]1[CH2:6][CH2:7][N:8]([CH:19]1[CH2:20][CH2:21][CH2:22]1)[CH2:9][CH2:10]2Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-b14ca81b95904698bbd18364dd00b469
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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