Ethanol → 3-{[3-(Aminomethyl)-6-chloro-2-fluorophenyl]oxy}-5-(1-methylethyl)benzonitrile
Reaction equation
[CH3:23][CH2:24][OH:25].[NH2:1][CH2:2][c:3]1[c:4]([F:22])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([C:19](=[CH2:20])[CH3:21])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1.[Pt:26](=[O:27])=[O:28]>>[NH2:1][CH2:2][c:3]1[c:4]([F:22])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([CH:19]([CH3:20])[CH3:21])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1Participants
4
Sources & evidence
- ORD record
- ord-41b96deea85c49328b82af42c0159010
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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