1,4-Dioxane → (5-Bromo-pyrimidin-2-yl)-(5'-isopropyl-2'-methoxy-4-trifluoromethyl-biphenyl-2-ylmethyl)-amine
Reaction equation
[Br:24][c:25]1[cH:26][n:27][c:28]([Cl:31])[n:29][cH:30]1.[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:22][CH3:23])[c:8](-[c:10]2[c:11]([CH2:20][NH2:21])[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:9]1.[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([O:22][CH3:23])[c:8](-[c:10]2[c:11]([CH2:20][NH:21][c:28]3[n:27][cH:26][c:25]([Br:24])[cH:30][n:29]3)[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]2)[cH:9]1Participants
5
Sources & evidence
- ORD record
- ord-d241a24b5bd440d2bfb9f911cf553692
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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