Citric Acid → (1-Methyl-4-nitropyrazol-3-yl)methanol
Reaction equation
[CH2:2]([Al+:3][CH2:4][CH:5]([CH3:6])[CH3:7])[CH:8]([CH3:9])[CH3:10].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:11][n:12]1[n:13][c:14]([C:20](=[O:21])[O:22][CH3:23])[c:15]([N+:17](=[O:18])[O-:19])[cH:16]1.[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[H-:1].[OH:24][C:25]([CH2:26][C:27]([C:28](=[O:29])[OH:30])([CH2:31][C:32](=[O:33])[OH:34])[OH:35])=[O:36]>>[CH3:11][n:12]1[n:13][c:14]([CH2:20][OH:21])[c:15]([N+:17](=[O:18])[O-:19])[cH:16]1Participants
7
Sources & evidence
- ORD record
- ord-068be69365e443ff9fed9e8d0bf8a30c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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