Acetic Acid → HCID 178471646, compound
Reaction equation
[C:26]([CH3:27])(=[O:28])[NH:29][c:30]1[nH:31][c:32](=[O:47])[c:33]([CH2:43][CH2:44][CH:45]=[O:46])[c:34]([N:36]([C:37]([CH3:38])=[O:39])[C:40]([CH3:41])=[O:42])[n:35]1.[C:52]([BH3-:53])#[N:54].[CH3:48][C:49](=[O:50])[OH:51].[CH3:56][CH2:57][OH:58].[CH3:59][OH:60].[NH2:1][c:2]1[c:3]([O:24][CH3:25])[cH:4][c:5]([C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16])[C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:22][cH:23]1.[Na+:55]>>[NH:1]([c:2]1[c:3]([O:24][CH3:25])[cH:4][c:5]([C:6](=[O:7])[NH:8][CH:9]([CH2:10][CH2:11][C:12](=[O:13])[O:14][CH2:15][CH3:16])[C:17](=[O:18])[O:19][CH2:20][CH3:21])[cH:22][cH:23]1)[CH2:45][CH2:44][CH2:43][c:33]1[c:32](=[O:47])[nH:31][c:30]([NH:29][C:26]([CH3:27])=[O:28])[n:35][c:34]1[N:36]([C:37]([CH3:38])=[O:39])[C:40]([CH3:41])=[O:42]Participants
8
Sources & evidence
- ORD record
- ord-e11626f1e480472d9c960f4e24d89151
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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