Acetic Acid → 4-Acetyl-2-bromobenzonitrile
Reaction equation
[C-:24]#[N:25].[CH3:27][C:28](=[O:29])[OH:30].[Cu:21][C:22]#[N:23].[K+:26].[N:17]([O-:18])=[O:19].[NH2:1][c:2]1[c:3]([Br:11])[cH:4][c:5]([C:8]([CH3:9])=[O:10])[cH:6][cH:7]1.[Na+:20].[OH2:31].[S:12](=[O:13])(=[O:14])([OH:15])[OH:16]>>[c:2]1([C:22]#[N:23])[c:3]([Br:11])[cH:4][c:5]([C:8]([CH3:9])=[O:10])[cH:6][cH:7]1Participants
10
Sources & evidence
- ORD record
- ord-35f10c8890d948738bab66abc73cd8bc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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