Acetic Acid → HCID 20306117, compound
Reaction equation
[CH3:29][C:30](=[O:31])[OH:32].[CH3:5][S:6][c:7]1[cH:8][cH:9][c:10]([CH:13]([CH2:14][n:15]2[cH:16][n:17][cH:18][cH:19]2)[CH2:20][CH2:21][CH2:22][CH3:23])[cH:11][cH:12]1.[N+:1]([O-:2])([OH:3])=[O:4].[Na+:28].[OH-:27].[OH2:26].[OH:24][OH:25]>>[CH3:5][S:6]([c:7]1[cH:8][cH:9][c:10]([CH:13]([CH2:14][n:15]2[cH:16][n:17][cH:18][cH:19]2)[CH2:20][CH2:21][CH2:22][CH3:23])[cH:11][cH:12]1)(=[O:26])=[O:27]Participants
8
Sources & evidence
- ORD record
- ord-534fc7b71bf64c42b4d2f4ae03f6d8c7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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