Methanol → 4-[3-[(Trifluoromethyl)thio]phenyl]-1-piperazinepropanenitrile
Reaction equation
[CH2:18]=[CH:19][C:20]#[N:21].[CH2:23]([N+:24]([CH3:25])([CH3:26])[CH3:27])[c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[CH3:34][CH2:35][O:36][CH2:37][CH3:38].[CH3:39][OH:40].[F:1][C:2]([S:3][c:4]1[cH:5][c:6]([N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:7][cH:8][cH:9]1)([F:16])[F:17].[OH-:22]>>[F:1][C:2]([S:3][c:4]1[cH:5][c:6]([N:10]2[CH2:11][CH2:12][N:13]([CH2:18][CH2:19][C:20]#[N:21])[CH2:14][CH2:15]2)[cH:7][cH:8][cH:9]1)([F:16])[F:17]Participants
7
Sources & evidence
- ORD record
- ord-c93842ad297c41fd857faa5c7fbabb9c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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