Nitric Acid → 3-tert-butyl-4-nitro-1H-pyrazole-5-carboxylic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:10](=[O:11])[OH:12])[n:8][nH:9]1.[OH:18][N+:19]([O-:20])=[O:21].[S:13](=[O:14])(=[O:15])([OH:16])[OH:17]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([N+:19](=[O:18])[O-:20])[c:7]([C:10](=[O:11])[OH:12])[n:8][nH:9]1Participants
4
Sources & evidence
- ORD record
- ord-5a0efe2d3c3743fba6050a144f4562d5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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