Acetic Acid → HCID 178486679, compound
Reaction equation
[CH3:36][CH2:37][OH:38].[CH3:39][C:40](=[O:41])[OH:42].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[OH2:35].[OH:1][c:2]1[cH:3][c:4]2[c:17]([cH:18][cH:19]1)[CH:16]1[CH:7]([CH2:6][CH2:5]2)[CH:8]2[CH2:9][CH2:10][C:11](=[O:22])[C:12]2([CH3:13])[CH2:14][CH:15]1[O:20][CH3:21].[c:23]1([CH3:34])[cH:24][cH:25][c:26]([S:29](=[O:30])(=[O:31])[NH:32][NH2:33])[cH:27][cH:28]1>>[OH:1][c:2]1[cH:3][c:4]2[c:17]([cH:18][cH:19]1)[CH:16]1[CH:7]([CH2:6][CH2:5]2)[CH:8]2[CH2:9][CH2:10][C:11](=[N:33][NH:32][S:29]([c:26]3[cH:25][cH:24][c:23]([CH3:34])[cH:28][cH:27]3)(=[O:30])=[O:31])[C:12]2([CH3:13])[CH2:14][CH:15]1[O:20][CH3:21]Participants
7
Sources & evidence
- ORD record
- ord-aafd1139a19a4f54aaf1611652e9e200
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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