Acetic Acid → HCID 22467465, compound
Reaction equation
[CH3:30][C:31]([OH:32])=[O:33].[CH3:35][N:36]([CH3:37])[CH2:38][CH2:39][CH2:40][N:41]=[C:42]=[N:43][CH2:44][CH3:45].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[ClH:34].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([NH:23][CH:24]2[CH2:25][CH2:26][NH:27][CH2:28][CH2:29]2)[c:8]([C:9](=[O:10])[NH:11][CH2:12][c:13]2[cH:14][c:15]3[c:16]([cH:20][cH:21]2)[O:17][CH2:18][O:19]3)[cH:22]1.[OH:46][n:47]1[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2[n:54][n:55]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]([NH:23][CH:24]2[CH2:25][CH2:26][N:27]([C:31]([CH3:30])=[O:32])[CH2:28][CH2:29]2)[c:8]([C:9](=[O:10])[NH:11][CH2:12][c:13]2[cH:14][c:15]3[c:16]([cH:20][cH:21]2)[O:17][CH2:18][O:19]3)[cH:22]1Participants
7
Sources & evidence
- ORD record
- ord-2d70cb912e8848bd81abf131f2a9baab
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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