Acetic Acid → HCID 178433726, compound
Reaction equation
[C:1](=[O:2])([CH3:3])[n:4]1[n:5][c:6]([O:21][CH:22]2[CH:23]([O:24][C:25]([C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH:31]([O:32][C:33]([C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH:39]([O:40][C:41]([C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[CH:47]([CH2:49][O:50][C:51]([C:52]([CH3:53])([CH3:54])[CH3:55])=[O:56])[O:48]2)[c:7]([CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH:18]([CH3:19])[CH3:20])[cH:15][cH:16]2)[c:8]1[CH3:9].[C:57](=[O:58])([OH:59])[O-:60].[CH3:62][C:63](=[O:64])[OH:65].[CH3:66][OH:67].[K+:61].[OH2:68]>>[nH:4]1[n:5][c:6]([O:21][CH:22]2[CH:23]([O:24][C:25]([C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH:31]([O:32][C:33]([C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH:39]([O:40][C:41]([C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[CH:47]([CH2:49][O:50][C:51]([C:52]([CH3:53])([CH3:54])[CH3:55])=[O:56])[O:48]2)[c:7]([CH2:10][c:11]2[cH:12][cH:13][c:14]([O:17][CH:18]([CH3:19])[CH3:20])[cH:15][cH:16]2)[c:8]1[CH3:9]Participants
7
Sources & evidence
- ORD record
- ord-aa6e7a0945bc4a9f9e14c969b3c43a3d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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