Acetic Acid → HCID 178439191, compound
Reaction equation
[CH3:27][C:28](=[O:29])[OH:30].[F:1][c:2]1[c:3]([C:9]([CH2:10][c:11]2[n:12][n:13][nH:14][cH:15]2)([OH:16])[C:17](=[CH:18][c:19]2[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]2)[CH3:26])[cH:4][cH:5][c:6]([F:8])[cH:7]1>>[F:1][c:2]1[c:3]([C:9]([CH2:10][c:11]2[n:12][n:13][nH:14][cH:15]2)([OH:16])[CH:17]([CH2:18][c:19]2[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]2)[CH3:26])[cH:4][cH:5][c:6]([F:8])[cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-658da983723940d8a75a364b14cefd44
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
Loading…