2-Fluoro-5-(trifluoromethyl)phenol → HCID 22049141, compound
Reaction equation
[F:1][c:2]1[c:3]([OH:12])[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1.[OH:13][CH:14]([CH2:15][CH2:16][CH2:17][CH2:18][N:19]1[CH2:20][CH2:21][CH:22]([c:25]2[cH:26][c:27]([NH:31][C:32]([CH:33]([CH3:34])[CH3:35])=[O:36])[cH:28][cH:29][cH:30]2)[CH2:23][CH2:24]1)[c:37]1[cH:38][cH:39][c:40]([C:43]([F:44])([F:45])[F:46])[cH:41][cH:42]1>>[F:1][c:2]1[c:3]([O:12][CH:14]([CH2:15][CH2:16][CH2:17][CH2:18][N:19]2[CH2:20][CH2:21][CH:22]([c:25]3[cH:26][c:27]([NH:31][C:32]([CH:33]([CH3:34])[CH3:35])=[O:36])[cH:28][cH:29][cH:30]3)[CH2:23][CH2:24]2)[c:37]2[cH:38][cH:39][c:40]([C:43]([F:44])([F:45])[F:46])[cH:41][cH:42]2)[cH:4][c:5]([C:8]([F:9])([F:10])[F:11])[cH:6][cH:7]1Participants
3
Sources & evidence
- ORD record
- ord-bfc3464a2cb84dae8668b1ffa0713b00
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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