Acetic Acid → HCID 178517153, compound
Reaction equation
[CH3:25][C:26](=[O:27])[OH:28].[CH3:29][N:30]([CH3:31])[CH:32]=[O:33].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[C:8](=[O:22])[N:9]1[CH:10]([C:11](=[O:13])[NH:12]2)[CH2:14][CH:15]([CH2:17][S:18]([O-:19])(=[O:20])=[O:21])[CH2:16]1.[H-:23].[Na+:24]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7]1[C:8](=[O:22])[N:9]1[CH:10]([C:11](=[O:13])[NH:12]2)[CH2:14][CH:15]=[CH:16]1Participants
6
Sources & evidence
- ORD record
- ord-b1fb0dcd3e474c6698be1480b08364b8
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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