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   Articles with "mechanism origin" as a keyword



Unravelling the mechanism and the origin of the selectivity of the [3 + 2] cycloaddition reaction between electrophilic nitrone and nucleophilic alkene

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recommendations! Published in 2019 at "Theoretical Chemistry Accounts"

DOI: 10.1007/s00214-019-2510-6

Abstract: In this paper, we have studied within the molecular electron density theory the mechanism and the origin of the selectivity of the [3 + 2] cycloaddition reaction between electrophilic nitrone 1 and nucleophilic alkene, indole 2, using… read more here.

Keywords: origin selectivity; reaction; mechanism origin; selectivity cycloaddition ... See more keywords

Mechanism and Origin of Remote Stereocontrol in the Organocatalytic Enantioselective Formal C(sp2)-H Alkylation Using Nitroalkanes as Alkylating Agents.

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recommendations! Published in 2022 at "Journal of the American Chemical Society"

DOI: 10.1021/jacs.2c02941

Abstract: Experimental 13C kinetic isotope effects (KIEs) and density functional theory (DFT) calculations are used to evaluate the mechanism and origin of enantioselectivity in the formal C(sp2)-H alkylative desymmetrization of cyclopentene-1,3-diones using nitroalkanes as the alkylating… read more here.

Keywords: mechanism origin; nitroalkanes alkylating; formal sp2; using nitroalkanes ... See more keywords

Investigations into mechanism and origin of regioselectivity in the metallaphotoredox-catalyzed α-arylation of N-alkylbenzamides

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recommendations! Published in 2022 at "Chemical Science"

DOI: 10.1039/d2sc01962k

Abstract: A mechanistic study on the α-arylation of N-alkylbenzamides catalyzed by a dual nickel/photoredox system using aryl bromides is reported herein. This study elucidates the origins of site-selectivity of the transformation, which is controlled by the… read more here.

Keywords: mechanism origin; regioselectivity metallaphotoredox; investigations mechanism; origin regioselectivity ... See more keywords

Insights into the Mechanism and Origin of Solvent-Controlled Chemodivergence in the Synthesis of Au-Catalyzed Bicyclo[2.2.1]heptanes from 3-Alkoxy-1,6-Diynes: A DFT Perspective

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recommendations! Published in 2024 at "Organic Chemistry Frontiers"

DOI: 10.1039/d4qo00816b

Abstract: Density functional theory (DFT) calculations reveal a distinct mechanism for the Au(I)-catalyzed synthesis of bicyclo-[2.2.1]heptanes through cycloisomerizations of 3-alkoxyl-1,6-diynes. The proposed mechanism highlights the crucial involvement of an allyl-gold species... read more here.

Keywords: origin solvent; insights mechanism; synthesis; mechanism origin ... See more keywords