Chloride → 4-Tert-butyl-3-fluorophenol

HRID 310811Notes

Reaction equation

HRID 310811 reaction equation
[CH2:15]([Cl:16])[Cl:17].[CH3:1][O:2][C:3]([CH3:4])([CH3:5])[CH3:6].[Cl-:18].[Cl-:19].[Cl-:20].[Cl-:21].[F:7][c:8]1[cH:9][c:10]([OH:14])[cH:11][cH:12][cH:13]1.[Zr+4:22]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[c:13]1[c:8]([F:7])[cH:9][c:10]([OH:14])[cH:11][cH:12]1

Participants

6

Reactant 5

HCID 312Chloride4×HCID 6344DichloromethaneHCID 97433-FluorophenolHCID 15413tert-Butyl methyl etherHCID 115139Zirconium cation (4+)

Product 1

HCID 205834244-Tert-butyl-3-fluorophenol

Sources & evidence

ORD record
ord-338a89d5fc4a4f77a0bdb564866fc6f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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