Acetic Acid → HCID 59713390, compound
Reaction equation
[CH3:1][O-:2].[CH3:23][C:24](=[O:25])[OH:26].[CH3:27][OH:28].[Cl:13][c:14]1[cH:15][c:16]([CH:17]=[O:18])[cH:19][c:20]([Cl:22])[cH:21]1.[N+:4](=[O:5])([O-:6])[CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1.[Na+:3].[OH2:29]>>[N+:4](=[O:5])([O-:6])[C:7]1([CH:17]([c:16]2[cH:15][c:14]([Cl:13])[cH:21][c:20]([Cl:22])[cH:19]2)[OH:18])[CH2:8][CH2:9][CH2:10][CH2:11][CH2:12]1Participants
8
Sources & evidence
- ORD record
- ord-e1b13694396a498fa9e5ee53a2339fa5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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