Acetic Acid → HCID 72427427, compound
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH:14]=[CH:15][CH:16]2[CH2:17][C:18]2([C:40](=[O:41])[NH:42][S:43](=[O:44])(=[O:45])[C:46]2([CH2:49][CH2:50][CH3:51])[CH2:47][CH2:48]2)[NH:19][C:20](=[O:39])[CH:21]2[CH2:22][CH:23]([O:28][c:29]3[n:30][cH:31][cH:32][c:33]4[cH:34][cH:35][cH:36][cH:37][c:38]34)[CH2:24][N:25]2[C:26]1=[O:27])=[O:52].[CH3:63][C:64](=[O:65])[OH:66].[CH3:67][OH:68].[K+:61].[K+:62].[N:53]([C:54]([O-:55])=[O:56])=[N:57][C:58]([O-:59])=[O:60]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]1[CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]2[CH2:17][C:18]2([C:40](=[O:41])[NH:42][S:43](=[O:44])(=[O:45])[C:46]2([CH2:49][CH2:50][CH3:51])[CH2:47][CH2:48]2)[NH:19][C:20](=[O:39])[CH:21]2[CH2:22][CH:23]([O:28][c:29]3[n:30][cH:31][cH:32][c:33]4[cH:34][cH:35][cH:36][cH:37][c:38]34)[CH2:24][N:25]2[C:26]1=[O:27])=[O:52]Participants
6
Sources & evidence
- ORD record
- ord-1b60ec5df49b447f8212f0b9fa896a78
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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