Mechanism and origins of ligand-controlled regioselectivity of copper-catalyzed borocarbonylation of imines with B₂pin₂ and alkyl iodides: a computational study

Xinyi Song,Hongli Wu,Jinjin Yang,Wentao Zhao,Genping Huang

Organic chemistry frontiers（2023）

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摘要

Copper-catalyzed borocarbonylation of imines with B 2 pin 2 and alkyl iodides has been investigated by means of DFT calculations. The detailed reaction mechanisms and the origins of the ligand-controlled regioselectivity were elucidated.

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borocarbonylation,regioselectivity,ligand-controlled,copper-catalyzed

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Mechanism and origins of ligand-controlled regioselectivity of copper-catalyzed borocarbonylation of imines with B2pin2 and alkyl iodides: a computational study

Mechanism and origins of ligand-controlled regioselectivity of copper-catalyzed borocarbonylation of imines with B₂pin₂ and alkyl iodides: a computational study