Isopropanol → 1-Isopropyl-4-nitro-1H-pyrazole
Reaction equation
[CH3:25][CH:26]([OH:27])[CH3:28].[N+:17](=[O:18])([O-:19])[c:20]1[cH:21][n:22][nH:23][cH:24]1.[N:1]([C:2]([O:3][C:4]([CH3:5])([CH3:9])[CH3:10])=[O:11])=[N:12][C:13]([O:14][C:6]([CH3:7])([CH3:8])[CH3:15])=[O:16].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[CH:6]([CH3:7])([CH3:8])[n:22]1[cH:21][c:20]([N+:17](=[O:18])[O-:19])[cH:24][n:23]1Participants
6
Sources & evidence
- ORD record
- ord-552778656dcb4d57aad6ab0ba0935ec3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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