Acetic Acid → HCID 178491589, compound
Reaction equation
[CH3:30][C:31](=[O:32])[OH:33].[Cl:1][c:2]1[cH:3][n:4][cH:5][c:6]([Cl:25])[c:7]1[NH:8][C:9]([c:10]1[cH:11][c:12]([O:18][CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23]2)[c:13]([O:16][CH3:17])[cH:14][cH:15]1)=[O:24].[Na+:29].[OH-:28].[OH:26][OH:27]>>[Cl:1][c:2]1[cH:3][n+:4]([O-:26])[cH:5][c:6]([Cl:25])[c:7]1[NH:8][C:9]([c:10]1[cH:11][c:12]([O:18][CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23]2)[c:13]([O:16][CH3:17])[cH:14][cH:15]1)=[O:24]Participants
6
Sources & evidence
- ORD record
- ord-a912fc003fab48fbbc5e4e5fad0e85fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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