Acetic Acid → HCID 178453262, compound
Reaction equation
[C:45]([O-:46])(=[O:47])[O-:48].[CH3:51][C:52](=[O:53])[OH:54].[Cs+:49].[Cs+:50].[F:1][c:2]1[cH:3][c:4](-[c:11]2[n:12][n:13][c:14]([N:16]([CH2:17][CH:18]([CH2:19][c:20]3[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]3)[NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[s:15]2)[cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59]>>[c:2]1([OH:46])[cH:3][c:4](-[c:11]2[n:12][n:13][c:14]([N:16]([CH2:17][CH:18]([CH2:19][c:20]3[cH:21][cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]3)[NH:30][C:31]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:37])[C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[s:15]2)[cH:5][cH:6][c:7]1[N+:8](=[O:9])[O-:10]Participants
6
Sources & evidence
- ORD record
- ord-ab07c79e8424479e8d3975ca303ef8ee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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