Acetic Acid → HCID 54278759, compound
Reaction equation
[CH3:1][CH2:2][C:3]([c:4]1[cH:5][cH:6][c:7]([OH:8])[cH:9][cH:10]1)=[C:11]([CH2:12][CH3:13])[c:14]1[cH:15][cH:16][c:17]([OH:18])[cH:19][cH:20]1.[CH3:25][C:26](=[O:27])[OH:28].[OH:21][N+:22]([O-:23])=[O:24]>>[CH3:1][CH2:2][C:3]([c:4]1[cH:5][cH:6][c:7]([OH:8])[cH:9][cH:10]1)=[C:11]([CH2:12][CH3:13])[c:14]1[cH:15][c:16]([N+:22](=[O:21])[O-:23])[c:17]([OH:18])[cH:19][cH:20]1Participants
4
Sources & evidence
- ORD record
- ord-74c77f68fb764316ba91583904f2517c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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