Acetic Acid → 5-Hydroxy-6-methoxy-4-nitro-isobenzofuran-1,3-dione
Reaction equation
[Br-:20].[BrH:19].[CH2:21]([N+:22]([CH2:23][CH3:24])([CH2:25][CH3:26])[CH2:27][CH3:28])[c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:1][O:2][c:3]1[c:4]([N+:16](=[O:17])[O-:18])[c:5]2[c:9]([cH:10][c:11]1[O:12][CH3:13])[C:8](=[O:14])[O:7][C:6]2=[O:15].[CH3:35][C:36](=[O:37])[OH:38]>>[OH:2][c:3]1[c:4]([N+:16](=[O:17])[O-:18])[c:5]2[c:9]([cH:10][c:11]1[O:12][CH3:13])[C:8](=[O:14])[O:7][C:6]2=[O:15]Participants
6
Sources & evidence
- ORD record
- ord-1fb0ff51fe1e4775bf850c6a32e23895
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
Loading…