Dimethyl Sulfoxide → 2-[4-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazin-1-yl]acetonitrile
Reaction equation
[CH3:35][S:36]([CH3:37])=[O:38].[CH3:45][CH2:46][N:47]([CH2:48][CH3:49])[CH2:50][CH3:51].[Cl:39][C:40]([C:41]([Cl:42])=[O:43])=[O:44].[Cl:52][CH2:53][Cl:54].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][O:7][CH2:8][CH:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[N:16]2[CH2:17][CH2:18][N:19]([CH2:22][C:23](=[O:24])[NH2:25])[CH2:20][CH2:21]2)[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][O:7][CH2:8][CH:9]([c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)[N:16]2[CH2:17][CH2:18][N:19]([CH2:22][C:23]#[N:25])[CH2:20][CH2:21]2)[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34]Participants
6
Sources & evidence
- ORD record
- ord-67420389d6d64abf8eaab6dcd9a17fb7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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