Ammonia → 2-[4-(1-Aminoethyl)-3-methylphenyl]-2-methylpropanenitrile
Reaction equation
[BH4-:16].[C:1]([CH3:2])(=[O:3])[c:4]1[c:5]([CH3:15])[cH:6][c:7]([C:10]([C:11]#[N:12])([CH3:13])[CH3:14])[cH:8][cH:9]1.[CH3:21][OH:22].[CH3:23][CH:24]([CH3:25])[O-:26].[CH3:28][CH:29]([CH3:30])[O-:31].[CH3:32][CH:33]([CH3:34])[O-:35].[CH3:36][CH:37]([CH3:38])[O-:39].[NH3:20].[NH4+:18].[Na+:17].[OH-:19].[Ti+4:27]>>[CH:1]([CH3:2])([c:4]1[c:5]([CH3:15])[cH:6][c:7]([C:10]([C:11]#[N:12])([CH3:13])[CH3:14])[cH:8][cH:9]1)[NH2:18]Participants
10
Sources & evidence
- ORD record
- ord-68abb5863bb84d619a729d065f83d13c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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