Acetic Acid → 2-(1-Hydroxypropan-2-yl)-6-methyl-5-nitroisoquinolin-1-one
Reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[CH3:51][C:52](=[O:53])[OH:54].[ClH:25].[K+:37].[K+:38].[K+:6].[OH2:50].[OH:26][C:27]([C:28]([F:29])([F:30])[F:31])=[O:32].[OH:7][CH2:8][CH:9]([CH3:10])[n:11]1[c:12](=[O:24])[c:13]2[cH:14][cH:15][cH:16][c:17]([N+:21](=[O:22])[O-:23])[c:18]2[cH:19][cH:20]1>>[CH3:1][c:16]1[cH:15][cH:14][c:13]2[c:12](=[O:24])[n:11]([CH:9]([CH2:8][OH:7])[CH3:10])[cH:20][cH:19][c:18]2[c:17]1[N+:21](=[O:22])[O-:23]Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-aad8aa2f8ea041c5a5fcee967e31e1ec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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