Acetic Acid → HCID 178424611, compound
Reaction equation
[C:1](=[O:2])([CH3:3])[n:4]1[n:5][c:6]([O:19][CH:20]2[CH:21]([O:22][C:23]([C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH:29]([O:30][C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH:37]([O:38][C:39]([C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH:45]([CH2:47][O:48][C:49]([C:50]([CH3:51])([CH3:52])[CH3:53])=[O:54])[O:46]2)[c:7]([CH2:10][c:11]2[cH:12][c:13]([F:18])[c:14]([CH3:17])[cH:15][cH:16]2)[c:8]1[CH3:9].[C:55](=[O:56])([OH:57])[O-:58].[CH3:60][C:61](=[O:62])[OH:63].[CH3:64][OH:65].[K+:59]>>[nH:4]1[n:5][c:6]([O:19][CH:20]2[CH:21]([O:22][C:23]([C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH:29]([O:30][C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH:37]([O:38][C:39]([C:40]([CH3:41])([CH3:42])[CH3:43])=[O:44])[CH:45]([CH2:47][O:48][C:49]([C:50]([CH3:51])([CH3:52])[CH3:53])=[O:54])[O:46]2)[c:7]([CH2:10][c:11]2[cH:12][c:13]([F:18])[c:14]([CH3:17])[cH:15][cH:16]2)[c:8]1[CH3:9]Participants
6
Sources & evidence
- ORD record
- ord-d76408e7f24d4d9f8d18aa61a9be59f7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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