Bicarbonate Ion → 5-((1E,4Z)-cyclohepta-1,4-dienyl)-1-methyl-4-nitro-1H-pyrazole
Reaction equation
[CH2:26]1[O:27][CH2:28][CH2:29][CH2:30]1.[CH3:1][n:2]1[n:3][cH:4][c:5]([N+:15](=[O:16])[O-:17])[c:6]1[C:7]1([OH:14])[CH2:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13]1.[Cl:23][CH2:24][Cl:25].[Na+:22].[O-:18][C:19]([OH:20])=[O:21]>>[CH3:1][n:2]1[n:3][cH:4][c:5]([N+:15](=[O:16])[O-:17])[c:6]1[C:7]1=[CH:8][CH2:9][CH:10]=[CH:11][CH2:12][CH2:13]1Participants
6
Sources & evidence
- ORD record
- ord-cd1f6964426f46708b3dbc5b846862bf
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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