Water → 2-Amino-4,5-difluoro-3-methylthiomethylbenzonitrile
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([F:13])[c:5]([F:12])[c:6]([CH2:9][S:10][CH3:11])[c:7]1[NH2:8].[CH3:14][N:15]([CH3:16])[P:17]([N:18]([CH3:19])[CH3:20])([N:21]([CH3:22])[CH3:23])=[O:24].[Cu:25]([C:26]#[N:27])[C:28]#[N:29].[NH2:30][CH2:31][CH2:32][NH2:33].[OH2:34]>>[c:2]1([C:14]#[N:15])[cH:3][c:4]([F:13])[c:5]([F:12])[c:6]([CH2:9][S:10][CH3:11])[c:7]1[NH2:8]Participants
6
Sources & evidence
- ORD record
- ord-3cbd4a5a9bbf4a6fb0600176798057ba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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