Acetic Acid → HCID 67145519, compound
Reaction equation
[CH3:3][c:4]1[c:5]([O:6][CH2:7][C:8](=[O:9])[OH:10])[cH:11][cH:12][c:13]([O:15][CH2:16][CH:17]=[C:18]([c:19]2[cH:20][cH:21][c:22]([C:25]#[C:26][CH2:27][N:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[cH:23][cH:24]2)[c:34]2[cH:35][cH:36][c:37]([S:40][CH3:41])[cH:38][cH:39]2)[cH:14]1.[CH3:42][C:43](=[O:44])[OH:45].[OH2:46].[OH:1][OH:2]>>[O:1]=[S:40]([c:37]1[cH:36][cH:35][c:34]([C:18](=[CH:17][CH2:16][O:15][c:13]2[cH:12][cH:11][c:5]([O:6][CH2:7][C:8](=[O:9])[OH:10])[c:4]([CH3:3])[cH:14]2)[c:19]2[cH:20][cH:21][c:22]([C:25]#[C:26][CH2:27][N:28]3[CH2:29][CH2:30][O:31][CH2:32][CH2:33]3)[cH:23][cH:24]2)[cH:39][cH:38]1)[CH3:41]Participants
5
Sources & evidence
- ORD record
- ord-663369fcb72a48e7b41a8f69e9349756
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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