Acetic Acid → HCID 67146745, 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[n:29][cH:30][cH:31][cH:32]3)[cH:23][cH:24]2)[c:33]2[cH:34][cH:35][c:36]([S:39][CH3:40])[cH:37][cH:38]2)[cH:14]1.[CH3:41][C:42](=[O:43])[OH:44].[OH2:45].[OH:1][OH:2]>>[O:1]=[S:39]([c:36]1[cH:35][cH:34][c:33]([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[n:29][cH:30][cH:31][cH:32]3)[cH:23][cH:24]2)[cH:38][cH:37]1)[CH3:40]Participants
5
Sources & evidence
- ORD record
- ord-02cef436bed64c36a9d1e93fc2112887
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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