Ammonia → 2-[4-(1-Aminoethyl)-2-methylphenyl]-2-methylpropanenitrile
Reaction equation
[BH4-:16].[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([CH3:15])[c:7]([C:10]([C:11]#[N:12])([CH3:13])[CH3:14])[cH:8][cH:9]1.[CH3:20][OH:21].[CH3:22][CH:23]([CH3:24])[O-:25].[CH3:27][CH:28]([CH3:29])[O-:30].[CH3:31][CH:32]([CH3:33])[O-:34].[CH3:35][CH:36]([CH3:37])[O-:38].[NH3:19].[Na+:17].[OH2:18].[Ti+4:26]>>[CH:1]([CH3:2])([c:4]1[cH:5][c:6]([CH3:15])[c:7]([C:10]([C:11]#[N:12])([CH3:13])[CH3:14])[cH:8][cH:9]1)[NH2:19]Participants
9
Sources & evidence
- ORD record
- ord-a07aae1deab1440d802ca45a1618e969
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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