Chloride → 1-(tert-Butyl)-4-(trifluoromethyl)benzene

Reaction equation

[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[CH3:8][Zn:9][CH3:10].[Cl-:28].[Cl-:29].[Cl-:30].[Cl-:31].[Cl:25][CH2:26][Cl:27].[F:11][C:12]([c:13]1[cH:14][cH:15][c:16]([C:17]([CH3:18])([CH3:19])[Cl:20])[cH:21][cH:22]1)([F:23])[F:24].[Ti+4:32]>>[CH3:1][C:17]([c:16]1[cH:15][cH:14][c:13]([C:12]([F:11])([F:23])[F:24])[cH:22][cH:21]1)([CH3:18])[CH3:19]

Participants

Reactant 6

HCID 312Chloride4×

HCID 1140Toluene

HCID 6344Dichloromethane

HCID 114942Titanium cation (4+)

HCID 197097954-Trifluoromethyl-alpha,alpha-dimethylbenzyl chloride

HCID 178477796HCID 178477796, compound

Product 1

HCID 120705441-(tert-Butyl)-4-(trifluoromethyl)benzene

Sources & evidence

ORD record: ord-e6ab4986a9d549f79ba799afccbb4380
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…