Ammonia → 3-Bromo-4-methylbenzonitrile
Reaction equation
[Br:1][c:2]1[cH:3][c:4]([C:5]([OH:6])=[O:7])[cH:8][cH:9][c:10]1[CH3:11].[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:18][N:19]1[CH2:20][CH2:21][O:22][CH2:23][CH2:24]1.[CH3:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[Cl:12][C:13]([C:14]([Cl:15])=[O:16])=[O:17].[NH3:25].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42]>>[Br:1][c:2]1[cH:3][c:4]([C:5]#[N:19])[cH:8][cH:9][c:10]1[CH3:11]Participants
8
Sources & evidence
- ORD record
- ord-d142a04cd4f94034bfab4723686044b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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