Chloride → 4-(3-Fluoro-4-trifluoromethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester
Reaction equation
[Br:14][c:15]1[cH:16][c:17]([F:25])[c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]1.[CH2:27]([c:28]1[cH:29][cH:30][cH:31][c:32]([CH2:33][CH2:34][CH3:35])[c:36]1-[n+:37]1[cH:38][cH:39][n:40](-[c:41]2[c:42]([CH2:43][CH2:44][CH3:45])[cH:46][cH:47][cH:48][c:49]2[CH2:50][CH2:51][CH3:52])[cH:53]1)[CH2:54][CH3:55].[CH3:56][C:57]([CH3:58])([O-:59])[CH3:60].[CH3:62][c:63]1[cH:64][cH:65][cH:66][cH:67][cH:68]1.[Cl-:26].[Na+:61]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([c:15]2[cH:16][c:17]([F:25])[c:18]([C:21]([F:22])([F:23])[F:24])[cH:19][cH:20]2)[CH2:12][CH2:13]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-39038d4af3cd4dd1a6d960f2bf2204b6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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