Acetic Acid → HCID 59465606, compound
Reaction equation
[C:30]([OH:31])(=[O:32])[CH3:33].[Na+:29].[OH-:28].[s:1]1[c:2]([NH:6][S:7](=[O:8])(=[O:9])[c:10]2[cH:11][cH:12][c:13]([CH:16]3[CH2:17][CH2:18][N:19]([C:22](=[O:23])[C:24]([F:25])([F:26])[F:27])[CH2:20][CH2:21]3)[cH:14][cH:15]2)[n:3][cH:4][cH:5]1>>[s:1]1[c:2]([NH:6][S:7](=[O:8])(=[O:9])[c:10]2[cH:11][cH:12][c:13]([CH:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[cH:14][cH:15]2)[n:3][cH:4][cH:5]1Participants
5
Sources & evidence
- ORD record
- ord-e03a56be1e7b4d59a575a4a00528dbfc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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