Acetic Acid → HCID 58054392, compound
Reaction equation
[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[CH3:39][C:40](=[O:41])[OH:42].[CH3:47][CH2:48][O:49][C:50]([CH3:51])=[O:52].[ClH:1].[K:43][O:44][C:45]#[N:46].[NH2:2][CH2:3][c:4]1[cH:5][c:6]([CH2:10][n:11]2[n:12][c:13]([NH:22][S:23](=[O:24])(=[O:25])[c:26]3[s:27][c:28]([Cl:31])[cH:29][cH:30]3)[c:14]3[c:15]([O:20][CH3:21])[cH:16][cH:17][cH:18][c:19]23)[cH:7][cH:8][cH:9]1.[OH2:53]>>[NH:2]([CH2:3][c:4]1[cH:5][c:6]([CH2:10][n:11]2[n:12][c:13]([NH:22][S:23](=[O:24])(=[O:25])[c:26]3[s:27][c:28]([Cl:31])[cH:29][cH:30]3)[c:14]3[c:15]([O:20][CH3:21])[cH:16][cH:17][cH:18][c:19]23)[cH:7][cH:8][cH:9]1)[C:45](=[O:44])[NH2:46]Participants
8
Sources & evidence
- ORD record
- ord-6005d243a6d2407ba29ff1fa2910d462
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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