4-(Trifluoromethyl)phenol → HCID 22049248, compound
Reaction equation
[CH2:1]1[CH2:2][CH2:3][c:4]2[cH:5][c:6]([CH:10]([CH2:11][CH2:12][N:13]3[CH2:14][CH2:15][CH:16]([c:19]4[cH:20][c:21]([NH:25][C:26]([CH:27]([CH3:28])[CH3:29])=[O:30])[cH:22][cH:23][cH:24]4)[CH2:17][CH2:18]3)[OH:31])[cH:7][cH:8][c:9]21.[F:32][C:33]([c:34]1[cH:35][cH:36][c:37]([OH:40])[cH:38][cH:39]1)([F:41])[F:42]>>[CH2:1]1[CH2:2][CH2:3][c:4]2[cH:5][c:6]([CH:10]([CH2:11][CH2:12][N:13]3[CH2:14][CH2:15][CH:16]([c:19]4[cH:20][c:21]([NH:25][C:26]([CH:27]([CH3:28])[CH3:29])=[O:30])[cH:22][cH:23][cH:24]4)[CH2:17][CH2:18]3)[O:31][c:37]3[cH:36][cH:35][c:34]([C:33]([F:32])([F:41])[F:42])[cH:39][cH:38]3)[cH:7][cH:8][c:9]21Participants
3
Sources & evidence
- ORD record
- ord-97014f5d81c44fe3ab43e2012f3407bb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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