Acetic Acid → 6-Methyl-5-nitro-1H-isochromen-1-one
Reaction equation
[C:33](=[O:34])([O-:35])[O-:36].[CH3:1][C:2]([CH3:3])([O-:4])[CH3:5].[CH3:41][C:42](=[O:43])[OH:44].[CH3:7][N:8]([CH3:9])[CH:10]=[O:11].[ClH:39].[K+:37].[K+:38].[K+:6].[N+:12](=[O:13])([O-:14])[c:15]1[c:16]2[cH:17][cH:18][o:19][c:20](=[O:25])[c:21]2[cH:22][cH:23][cH:24]1.[OH2:40].[OH:26][C:27]([C:28]([F:29])([F:30])[F:31])=[O:32]>>[CH3:1][c:24]1[c:15]([N+:12](=[O:13])[O-:14])[c:16]2[cH:17][cH:18][o:19][c:20](=[O:25])[c:21]2[cH:22][cH:23]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-2a8a92a0a47d45c4a701f312760d0607
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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