Acetone → Trifluoroacetic acid
Reaction equation
[CH3:39][C:40](=[O:41])[CH3:42].[CH3:8][O:9][c:10]1[n:11][n:12][c:13](-[c:25]2[cH:26][cH:27][n:28][cH:29][cH:30]2)[cH:14][c:15]1-[c:16]1[nH:17][c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[cH:24]1.[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7].[I:31][N:32]1[C:33](=[O:34])[CH2:35][CH2:36][C:37]1=[O:38]>>[CH3:8][O:9][c:10]1[n:11][n:12][c:13](-[c:25]2[cH:26][cH:27][n:28][cH:29][cH:30]2)[cH:14][c:15]1-[c:16]1[nH:17][c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[c:24]1[I:31].[F:1][C:2]([C:3](=[O:4])[OH:5])([F:6])[F:7]Participants
6
Sources & evidence
- ORD record
- ord-58bf7d20d693404aa1ef36c4ab555d09
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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