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

HRID 120536Notes

Reaction equation

HRID 120536 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]1[cH:58][cH:59][cH:60][cH:61][cH:62]1.[Cl-:26]>>[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

6

Reactant 5

HCID 312ChlorideHCID 1140TolueneHCID 143452tert-Butyl piperazine-1-carboxylateHCID 27829044-Bromo-2-fluorobenzotrifluorideHCID 223147481,3-Bis(2,6-dipropylphenyl)imidazol-1-ium

Product 1

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

Sources & evidence

ORD record
ord-4f33ba2c18ea45e9b625b56b7a52292c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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