Acetic Acid → HCID 13216231, compound
Reaction equation
[CH3:25][C:26](=[O:27])[OH:28].[Cl:1][c:2]1[cH:3][c:4]([NH:10][C:11](=[O:12])[CH:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[c:5]([O:8][CH3:9])[cH:6][cH:7]1.[Na+:24].[OH-:23].[OH:19][N+:20]([O-:21])=[O:22].[S:29](=[O:30])(=[O:31])([OH:32])[OH:33]>>[Cl:1][c:2]1[cH:3][c:4]([NH:10][C:11](=[O:12])[CH:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[c:5]([O:8][CH3:9])[cH:6][c:7]1[N+:20](=[O:19])[O-:21]Participants
7
Sources & evidence
- ORD record
- ord-349541c7d76d4eddb0fbdc6e584388ee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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