Application of statistical learning and mechanistic modelling towards mapping the substrate electronic space in a Cu-catalyzed Suzuki–Miyaura coupling

Gómez-Mudarra, Francisco Alonso; Aullón, Gabriel

doi:10.1039/d2cy02039d

Catal. Sci. Technol.

2023

DOI: 10.1039/d2cy02039d

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Application of statistical learning and mechanistic modelling towards mapping the substrate electronic space in a Cu-catalyzed Suzuki–Miyaura coupling

Francisco Alonso Gómez-Mudarra

Gabriel Aullón

Abstract: The Cu-catalyzed Suzuki-Miyaura coupling between highly fluorinated aryl boronate esters and aryl iodides has been studied with DFT calculations. The reaction mechanism proposed suggests that the oxidative addition of the...

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Comparative analysis of palladium, nickel and copper phosphane/carbene catalysts in Suzuki–Miyaura couplings: Mechanistic insights and reactivity trends

Gómez-Mudarra,

Aullón,

Jover

2024

Advances in Inorganic Chemistry

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Comparative analysis of palladium, nickel and copper phosphane/carbene catalysts in Suzuki–Miyaura couplings: Mechanistic insights and reactivity trends

Gómez-Mudarra,

Aullón,

Jover

2024

Advances in Inorganic Chemistry

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Application of statistical learning and mechanistic modelling towards mapping the substrate electronic space in a Cu-catalyzed Suzuki–Miyaura coupling

Abstract: The Cu-catalyzed Suzuki-Miyaura coupling between highly fluorinated aryl boronate esters and aryl iodides has been studied with DFT calculations. The reaction mechanism proposed suggests that the oxidative addition of the...

Cited by 1 publication

References 89 publications

Comparative analysis of palladium, nickel and copper phosphane/carbene catalysts in Suzuki–Miyaura couplings: Mechanistic insights and reactivity trends

Comparative analysis of palladium, nickel and copper phosphane/carbene catalysts in Suzuki–Miyaura couplings: Mechanistic insights and reactivity trends

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