Acetone → 4-Nitro-2,3,6-trimethylanisole
Reaction equation
[CH2:31]([O:32][C:33](=[O:34])[CH3:35])[CH3:36].[CH3:1][c:2]1[c:3]([OH:13])[c:4]([CH3:12])[cH:5][c:6]([N+:9](=[O:10])[O-:11])[c:7]1[CH3:8].[CH3:20][C:21](=[O:22])[CH3:23].[CH3:24][O:25][S:26]([O:27][CH3:28])(=[O:29])=[O:30].[K+:14].[K+:15].[O-:16][C:17]([O-:18])=[O:19].[OH2:37]>>[CH3:1][c:2]1[c:3]([O:13][CH3:17])[c:4]([CH3:12])[cH:5][c:6]([N+:9](=[O:10])[O-:11])[c:7]1[CH3:8]Participants
8
Sources & evidence
- ORD record
- ord-5d369317f8ba4f859a9894d79390e3bc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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