Acetic Acid → HCID 54308417, compound
Reaction equation
[CH2:21]1[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]1.[CH3:27][C:28](=[O:29])[OH:30].[OH:8][c:9]1[cH:10][c:11]([CH:12]=[O:13])[cH:14][c:15]([N+:18](=[O:19])[O-:20])[c:16]1[OH:17].[S:1]1[C:2](=[O:7])[NH:3][C:4](=[O:6])[CH2:5]1>>[S:1]1[C:2](=[O:7])[NH:3][C:4](=[O:6])[C:5]1=[CH:12][c:11]1[cH:10][c:9]([OH:8])[c:16]([OH:17])[c:15]([N+:18](=[O:19])[O-:20])[cH:14]1Participants
5
Sources & evidence
- ORD record
- ord-dd2f5f76d74049f98384029a662e413e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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