5-Methoxystyphnic acid → 1,3,5-Trimethoxy-2,4,6-trinitrobenzene
Reaction equation
[CH3:1][O:2][c:3]1[c:4]([N+:5]([O-:6])=[O:7])[c:8]([OH:9])[c:10]([N+:11]([O-:12])=[O:13])[c:14]([OH:15])[c:16]1[N+:17]([O-:18])=[O:19].[CH3:20][O:21][c:22]1[c:23]([N+:24](=[O:25])[O-:26])[c:27]([OH:39])[c:28]([N+:36](=[O:37])[O-:38])[c:29]([O:34][CH3:35])[c:30]1[N+:31](=[O:32])[O-:33]>>[CH3:1][O:39][c:27]1[c:23]([N+:24](=[O:25])[O-:26])[c:22]([O:21][CH3:20])[c:30]([N+:31](=[O:32])[O-:33])[c:29]([O:34][CH3:35])[c:28]1[N+:36](=[O:37])[O-:38]Participants
3
Sources & evidence
- ORD record
- ord-41d8c35a6eff47fa9c083ed2e6d18392
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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