Ammonia → 3-{[3-(Aminomethyl)-6-chloro-2-fluorophenyl]oxy}-5-(trifluoromethyl)benzonitrile
Reaction equation
[Br:1][CH2:2][c:3]1[c:4]([F:23])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1.[Cl:25][CH2:26][Cl:27].[NH3:24]>>[CH2:2]([c:3]1[c:4]([F:23])[c:5]([O:10][c:11]2[cH:12][c:13]([C:14]#[N:15])[cH:16][c:17]([C:19]([F:20])([F:21])[F:22])[cH:18]2)[c:6]([Cl:9])[cH:7][cH:8]1)[NH2:24]Participants
4
Sources & evidence
- ORD record
- ord-61911a1ba1b14a13825a0a52937e7bfb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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