Chloride → 4-(3-Fluoro-4-trifluoromethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

HRID 689459Notes

Reaction equation

HRID 689459 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.[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.[CH:27]([c:28]1[cH:29][cH:30][cH:31][c:32]([CH:33]([CH3:34])[CH3:35])[c:36]1-[n+:37]1[cH:38][cH:39][n:40](-[c:41]2[c:42]([CH:43]([CH3:44])[CH3:45])[cH:46][cH:47][cH:48][c:49]2[CH:50]([CH3:51])[CH3:52])[cH:53]1)([CH3:54])[CH3:55].[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]1

Participants

8

Reactant 7

HCID 312ChlorideHCID 923Sodium ionHCID 1140TolueneHCID 143452tert-Butyl piperazine-1-carboxylateHCID 27349141,3-Bis[2,6-di(propan-2-yl)phenyl]imidazol-1-iumHCID 27829044-Bromo-2-fluorobenzotrifluorideHCID 45749132-Methylpropan-2-olate

Product 1

HCID 597936284-(3-Fluoro-4-trifluoromethyl-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

Sources & evidence

ORD record
ord-d4ac9cea018448d8a3980a4384838091
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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