Acetic Acid → 4-[6-(1-Methylethyl)-5,6,7,8-tetrahydropyrazolo[3,4-d]azepin-2(4H)-yl]benzonitrile
Reaction equation
[C:23]([O:24][BH-:25]([O:26][C:27](=[O:28])[CH3:29])[O:30][C:31](=[O:32])[CH3:33])(=[O:34])[CH3:35].[CH3:19][C:20]([CH3:21])=[O:22].[CH3:37][OH:38].[CH3:42][C:43](=[O:44])[OH:45].[Cl:39][CH2:40][Cl:41].[Na+:36].[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:20]([CH3:19])[CH3:21])[CH2:9][CH2:10]2Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-034d0bcf728545678880fc940664fc50
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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