Acetic Acid → HCID 66701241, compound
Reaction equation
[C:36]([OH:37])(=[O:38])[CH3:39].[C:40](=[O:41])([O-:42])[OH:43].[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][CH3:7])([CH3:8])[NH:9][C:10](=[O:11])[c:12]1[c:13]([O:23][CH2:24][CH:25]2[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[c:20]([Cl:22])[cH:21]1)=[O:31].[CH3:32][C:33]([CH3:34])=[O:35].[Cl:45][CH2:46][Cl:47].[Na+:44]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH2:6][CH3:7])([CH3:8])[NH:9][C:10](=[O:11])[c:12]1[c:13]([O:23][CH2:24][CH:25]2[CH2:26][CH2:27][N:28]([CH:33]([CH3:32])[CH3:34])[CH2:29][CH2:30]2)[c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[c:20]([Cl:22])[cH:21]1)=[O:31]Participants
7
Sources & evidence
- ORD record
- ord-0acb19d0220d470eb5214d9913066b1f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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