Acetic Acid → HCID 136387293, compound
Reaction equation
[CH3:27][OH:28].[CH3:29][C:30](=[O:31])[OH:32].[CH:18](=[O:19])[c:20]1[cH:21][cH:22][cH:23][cH:24][c:25]1[OH:26].[NH2:1][C:2]1=[N:3][N:4]([c:7]2[cH:8][c:9]([C:14]([F:15])([F:16])[F:17])[c:10]([Br:13])[cH:11][cH:12]2)[CH2:5][CH2:6]1>>[N:1]([C:2]1=[N:3][N:4]([c:7]2[cH:8][c:9]([C:14]([F:15])([F:16])[F:17])[c:10]([Br:13])[cH:11][cH:12]2)[CH2:5][CH2:6]1)=[CH:18][c:20]1[cH:21][cH:22][cH:23][cH:24][c:25]1[OH:26]Participants
5
Sources & evidence
- ORD record
- ord-31f1c273f0104e64bc488093ee66e613
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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