Acetic Acid → 4,4-Dimethyl-1,3(2H,4H)-isoquinolinedione
Reaction equation
[Br:1].[CH3:22][C:23](=[O:24])[OH:25].[CH3:5][C:6]1([CH3:21])[C:7](=[O:20])[NH:8][C:9](=[O:19])[c:10]2[cH:11][c:12]([N+:16]([O-:17])=[O:18])[cH:13][cH:14][c:15]21.[Na+:3].[OH-:2].[OH2:4]>>[CH3:5][C:6]1([CH3:21])[C:7](=[O:20])[NH:8][C:9](=[O:19])[c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]21Participants
7
Sources & evidence
- ORD record
- ord-a9d05a65f01a4d69b5c44f1fe4105e2d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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