Acetic Acid → HCID 54442301, compound
Reaction equation
[C:10]([CH3:11])([CH3:12])([CH3:13])[O:14][C:15]([CH2:16][c:17]1[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]1)=[O:25].[CH3:29][N:30]([CH3:31])[CH:32]=[O:33].[CH3:34][C:35](=[O:36])[OH:37].[H-:26].[Na+:27].[OH2:28].[n:1]1[c:2]([C:7](=[O:8])[OH:9])[cH:3][n:4][cH:5][cH:6]1>>[n:1]1[c:2]([C:7](=[O:9])[CH:16]([C:15]([O:14][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:25])[c:17]2[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]2)[cH:3][n:4][cH:5][cH:6]1Participants
8
Sources & evidence
- ORD record
- ord-b4266239a89145b8a53bfa12e9df7dee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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