Methanol → 4-[4-(2-Tert-butyloxycarbonylethyl)-piperazin-1-yl]-6-(3-trifluoromethyl-phenyl)pyrimidine-2-carbonitrile
Reaction equation
[C:32]([CH:33]=[CH2:34])(=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH3:55][OH:56].[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[N:8]1([c:14]2[n:15][c:16]([C:30]#[N:31])[n:17][c:18](-[c:20]3[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[cH:19]2)[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1>>[N:8]1([c:14]2[n:15][c:16]([C:30]#[N:31])[n:17][c:18](-[c:20]3[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[cH:19]2)[CH2:9][CH2:10][N:11]([CH2:34][CH2:33][C:32](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[CH2:12][CH2:13]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-7170f24686ee47518630dd4ff62454d6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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