Acetic Acid → HCID 54284412, compound
Reaction equation
[CH3:33][I:34].[CH3:35][C:36](=[O:37])[OH:38].[CH3:6][O:7][N:8]=[C:9]1[C:10]([CH3:30])=[CH:11][CH:12]([N:19]([C:20]([CH3:21])=[O:22])[CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH:13]([OH:18])[C:14]([CH3:16])([CH3:17])[CH2:15]1.[H-:31].[Na+:32].[O:1]1[CH2:2][CH2:5][CH2:4][CH2:3]1.[OH2:39]>>[CH3:2][O:18][CH:13]1[CH:12]([N:19]([C:20]([CH3:21])=[O:22])[CH2:23][c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[CH:11]=[C:10]([CH3:30])[C:9](=[N:8][O:7][CH3:6])[CH2:15][C:14]1([CH3:16])[CH3:17]Participants
8
Sources & evidence
- ORD record
- ord-eea4b600e02b44eea0bfda970b64b712
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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