Chloride → 4-(tert-Butyl)-3,5-difluorophenol

HRID 1122459Notes

Reaction equation

HRID 1122459 reaction equation
[CH3:10][O:11][C:12]([CH3:13])([CH3:14])[CH3:15].[Cl-:16].[Cl-:18].[Cl-:19].[Cl-:20].[F:1][c:2]1[cH:3][c:4]([OH:9])[cH:5][c:6]([F:8])[cH:7]1.[Zr+4:17]>>[F:1][c:2]1[cH:3][c:4]([OH:9])[cH:5][c:6]([F:8])[c:7]1[C:12]([CH3:13])([CH3:14])[CH3:15]

Participants

5

Reactant 4

HCID 312Chloride4×HCID 15413tert-Butyl methyl etherHCID 759283,5-DifluorophenolHCID 115139Zirconium cation (4+)

Product 1

HCID 670464324-(tert-Butyl)-3,5-difluorophenol

Sources & evidence

ORD record
ord-16f488dd279849ebbda459605308258b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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