Acetate → 3-acetyl-6-bromo-2-[4-(1-hydroxyiminoethyl)benzyl]-4-phenyl-2H-isoquinolin-1-one
Reaction equation
[C:1]([CH3:2])(=[O:3])[c:4]1[n:5]([CH2:22][c:23]2[cH:24][cH:25][c:26]([C:29]([CH3:30])=[O:31])[cH:27][cH:28]2)[c:6](=[O:21])[c:7]2[cH:8][cH:9][c:10]([Br:20])[cH:11][c:12]2[c:13]1-[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[CH3:36][C:37](=[O:38])[O-:39].[CH3:40][CH2:41][OH:42].[ClH:32].[NH2:33][OH:34].[Na+:35]>>[C:1]([CH3:2])(=[O:3])[c:4]1[n:5]([CH2:22][c:23]2[cH:24][cH:25][c:26]([C:29]([CH3:30])=[N:33][OH:34])[cH:27][cH:28]2)[c:6](=[O:21])[c:7]2[cH:8][cH:9][c:10]([Br:20])[cH:11][c:12]2[c:13]1-[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1Participants
7
Sources & evidence
- ORD record
- ord-dab192f7c3fc4ed7b2f91087d3aa7dae
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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