Acetic Acid → HCID 178428772, compound
Reaction equation
[CH3:2][CH2:3][CH2:4][CH2:5][O-:6].[CH3:31][C:32](=[O:33])[OH:34].[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[Cl:7][c:8]1[cH:9][cH:10][c:11]2[c:12]([cH:30]1)[C:13]([c:23]1[c:24]([F:29])[cH:25][cH:26][cH:27][cH:28]1)=[N+:14]([O-:22])[CH2:15][C:16](=[CH:18][N+:19](=[O:20])[O-:21])[NH:17]2.[K:1]>>[CH3:2][CH:15]1[N+:14]([O-:22])=[C:13]([c:23]2[c:24]([F:29])[cH:25][cH:26][cH:27][cH:28]2)[c:12]2[c:11]([cH:10][cH:9][c:8]([Cl:7])[cH:30]2)[NH:17][C:16]1=[CH:18][N+:19](=[O:20])[O-:21]Participants
6
Sources & evidence
- ORD record
- ord-c4fca6233dfe4414ba37be608bfa8c8b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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