Methanol → 4-[4-methyl-5-(4-phenylbicyclo[2.2.2]oct-1-yl)-4H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenol
Reaction equation
[C:41]([O:42][CH2:43][CH3:44])(=[O:45])[CH3:46].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:35]([F:36])([F:37])[F:38])[c:12](-[c:15]2[n:16][n:17][c:18]([C:21]34[CH2:22][CH2:23][C:24]([c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)([CH2:25][CH2:26]3)[CH2:27][CH2:28]4)[n:19]2[CH3:20])[cH:13][cH:14]1.[CH3:39][OH:40]>>[OH:8][c:9]1[cH:10][c:11]([C:35]([F:36])([F:37])[F:38])[c:12](-[c:15]2[n:16][n:17][c:18]([C:21]34[CH2:22][CH2:23][C:24]([c:29]5[cH:30][cH:31][cH:32][cH:33][cH:34]5)([CH2:25][CH2:26]3)[CH2:27][CH2:28]4)[n:19]2[CH3:20])[cH:13][cH:14]1Participants
4
Sources & evidence
- ORD record
- ord-20fdf9dc1f564b439f35afa3849607ad
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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