A quantum mechanical study of the mechanism and stereoselectivity of the N-heterocyclic carbene catalyzed [4 + 2] annulation reaction of enals with azodicarboxylates

A new chiral C1-symmetric NHC-catalyzed addition to α-aryl substituted α,β-disubstituted enals: enantioselective synthesis of fully functionalized dihydropyranones

(2015) Hong Lu et al.   CHEMICAL COMMUNICATIONS

N-Heterocyclic carbene-catalyzed enantioselective annulations: a dual activation strategy for a formal [4+2] addition for dihydrocoumarins

(2015) Anna Lee et al.   CHEMICAL COMMUNICATIONS

N-heterocyclic carbene (NHC) complexes of group 4 transition metals

(2015) Dao Zhang et al.   CHEMICAL SOCIETY REVIEWS

N-heterocyclic carbene-catalyzed [4 + 2] cyclization of 2-bromo-2-enal with 3-alkylenyloxindoles: efficient assembly of spirocarbocyclic oxindole

(2015) Yuanwei Xie et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Theoretical investigation on the chemoselective N-heterocyclic carbene-catalyzed cross-benzoin reactions

(2015) Tao Liu et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

N-Heterocyclic carbene-catalyzed annulation of cyclic β-enamino esters with enals: access to functionalized indolo[2,3-a]quinolizidines

(2015) Shihe Hu et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Enantioselective Synthesis of Functionalized Pyrazoles by NHC-Catalyzed Reaction of Pyrazolones with α,β-Unsaturated Aldehydes

(2015) Santhivardhana Reddy Yetra et al.   ORGANIC LETTERS

N-heterocyclic carbene-based ruthenium-catalyzed direct amidation of aldehydes with amines

(2015) Cheng Chen et al.   Organic Chemistry Frontiers

Development of a functionally separated D–π-A fluorescent dye with a pyrazyl group as an electron-accepting group for dye-sensitized solar cells

(2015) Yousuke Ooyama et al.   Organic Chemistry Frontiers

Pd(ii)-catalyzed asymmetric addition of arylboronic acids to cyclic N-sulfonyl ketimine esters and a DFT study of its mechanism

(2015) Mao Quan et al.   Organic Chemistry Frontiers

On the Mechanism of N-Heterocyclic Carbene-Catalyzed Reactions Involving Acyl Azoliums

(2014) Jessada Mahatthananchai et al.   ACCOUNTS OF CHEMICAL RESEARCH

N-Heterocyclic Carbene Catalyzed Formal [3+2] Annulation Reaction of Enals: An Efficient Enantioselective Access to Spiro-Heterocycles

(2014) Chang Guo et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Bifunctional N-Heterocyclic Carbene Catalyzed [3+4] Annulation of Enals and Aurones

(2014) Zhi-Qin Liang et al.   CHEMISTRY-A EUROPEAN JOURNAL

DFT Study on the Mechanisms and Stereoselectivities of the [4 + 2] Cycloadditions of Enals and Chalcones Catalyzed by N-Heterocyclic Carbene

(2014) Zhenyu Li et al.   JOURNAL OF ORGANIC CHEMISTRY

DFT Study on the Mechanisms and Diastereoselectivities of Lewis Acid-Promoted Ketene–Alkene [2 + 2] Cycloadditions: What is the Role of Lewis Acid in the Ketene and C = X (X = O, CH2, and NH) [2 + 2] Cycloaddition Reactions?

(2014) Yang Wang et al.   JOURNAL OF PHYSICAL CHEMISTRY A

N-Heterocyclic Carbene-Catalyzed [3+4] Cycloaddition and Kinetic Resolution of Azomethine Imines

(2014) Ming Wang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Reaction pathways and free energy profiles for cholinesterase-catalyzed hydrolysis of 6-monoacetylmorphine

(2014) Yan Qiao et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

NHC-catalyzed oxidative γ-addition of α,β-unsaturated aldehydes to isatins: a high-efficiency synthesis of spirocyclic oxindole-dihydropyranones

(2014) Rui Liu et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

A theoretical study on the mechanisms of the reactions between 1,3-dialkynes and ammonia derivatives for the formation of five-membered N-heterocycles

(2014) Yang Wang et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Cooperative N-heterocyclic carbene (NHC)–Lewis acid-mediated regioselective umpolung formal [3 + 2] annulations of alkynyl aldehydes with isatins

(2014) Yu Zhang et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

DFT study on the reaction mechanisms and stereoselectivities of NHC-catalyzed [2 + 2] cycloaddition between arylalkylketenes and electron-deficient benzaldehydes

(2014) Mengmeng Zhang et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Bifunctional N-Heterocyclic Carbene-Catalyzed Highly Enantioselective Synthesis of Spirocyclic Oxindolo-β-lactams

(2014) Han-Ming Zhang et al.   ORGANIC LETTERS

DFT calculations on kinetic data for some [4+2] reactions in solution

(2014) Yue Li et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Catalytic kinetic resolution of a dynamic racemate: highly stereoselective β-lactone formation by N-heterocyclic carbene catalysis

(2014) Ryne C. Johnston et al.   Chemical Science

Stereocontrolled synthesis of propionate motifs froml-lactic andl-alanine aldehydes. A DFT study of the hydrogen transfer under endocyclic control

(2014) François Godin et al.   Organic Chemistry Frontiers

The kinetics of alkyl radical ring closures at selenium: formation of selenane

(2014) Amber N. Hancock et al.   Organic Chemistry Frontiers

NHC-catalyzed homoenolate reaction of enals and nitroalkenes: computational study of mechanism, chemoselectivity and stereoselectivity

(2014) Qi Zhang et al.   Organic Chemistry Frontiers

Understanding the reaction mechanisms of Pd-catalysed oxidation of alcohols and domino oxidation–arylation reactions using phenyl chloride as an oxidant

(2014) Yang Li et al.   Organic Chemistry Frontiers

Intermolecular reactions of gold(i)-carbenes with furans by related mechanisms

(2014) David Lebœuf et al.   Organic Chemistry Frontiers

Highly Enantioselective γ-Amination by N-Heterocyclic Carbene Catalyzed [4+2] Annulation of Oxidized Enals and Azodicarboxylates

(2013) Xiang-Yu Chen et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

N-Heterocyclic Carbene Catalyzed [4+3] Annulation of Enals ando-Quinone Methides: Highly Enantioselective Synthesis of Benzo-ε-Lactones

(2013) Hui Lv et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Enantioselective N-Heterocyclic Carbene Catalyzed Aza-Benzoin Reaction of Enals with Activated Ketimines

(2013) Li-Hui Sun et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

N-Heterocyclic carbenes (NHCs) as organocatalysts and structural components in metal-free polymer synthesis

(2013) Maréva Fèvre et al.   CHEMICAL SOCIETY REVIEWS

Tests of Exchange-Correlation Functional Approximations Against Reliable Experimental Data for Average Bond Energies of 3d Transition Metal Compounds

(2013) Wenjing Zhang et al.   Journal of Chemical Theory and Computation

Catalytic C–H Activation/C–C Coupling Reaction: DFT Studies on the Mechanism, Solvent Effect, and Role of Additive

(2013) Lei Zhang et al.   JOURNAL OF ORGANIC CHEMISTRY

DFT Investigation on Mechanisms and Stereoselectivities of [2 + 2 + 2] Multimolecular Cycloaddition of Ketenes and Carbon Disulfide Catalyzed by N-Heterocyclic Carbenes

(2013) Wen-Jing Zhang et al.   JOURNAL OF ORGANIC CHEMISTRY

NHC-Promoted Asymmetric β-Lactone Formation from Arylalkylketenes and Electron-Deficient Benzaldehydes or Pyridinecarboxaldehydes

(2013) James Douglas et al.   JOURNAL OF ORGANIC CHEMISTRY

A Dual Lewis Base Activation Strategy for Enantioselective Carbene-Catalyzed Annulations

(2013) Javier Izquierdo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

NHC-mediated enantioselective formal [4 + 2] cycloadditions of alkylarylketenes and β,γ-unsaturated α-ketocarboxylic esters and amides

(2013) Stuart M. Leckie et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Between a reactant rock and a solvent hard place – molecular corrals guide aromatic substitutions

(2013) Yan-Mei Chen et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

cis-Enals in N-heterocyclic carbene-catalyzed reactions: distinct stereoselectivity and reactivity

(2013) Xingkuan Chen et al.   Chemical Science

Enantioselective, NHC-Catalyzed Annulations of Trisubstituted Enals and CyclicN-Sulfonylimines via α,β-Unsaturated Acyl Azoliums

(2012) Alberto G. Kravina et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Recent density functional theory model calculations of drug metabolism by cytochrome P450

(2012) Dongmei Li et al.   COORDINATION CHEMISTRY REVIEWS

Theoretical Investigations toward the [4 + 2] Cycloaddition of Ketenes with N-Benzoyldiazenes Catalyzed by N-Heterocyclic Carbenes: Mechanism and Enantioselectivity

(2012) Wenjing Zhang et al.   JOURNAL OF ORGANIC CHEMISTRY

Oxyanion Steering and CH−π Interactions as Key Elements in an N-Heterocyclic Carbene-Catalyzed [4 + 2] Cycloaddition

(2012) Scott E. Allen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Oxidative γ-Addition of Enals to Trifluoromethyl Ketones: Enantioselectivity Control via Lewis Acid/N-Heterocyclic Carbene Cooperative Catalysis

(2012) Junming Mo et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Fundamental Reaction Pathway and Free Energy Profile for Inhibition of Proteasome by Epoxomicin

(2012) Donghui Wei et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Elucidation of the reaction mechanisms and diastereoselectivities of phosphine-catalyzed [4 + 2] annulations between allenoates and ketones or aldimines

(2012) Yan Qiao et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

N-heterocyclic carbene-catalyzed [4 + 2] cycloaddition of ketenes and 3-aroylcoumarins: highly enantioselective synthesis of dihydrocoumarin-fused dihydropyranones

(2012) Teng-Yue Jian et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

N-Heterocyclic Carbene (NHC)-Catalyzed Highly Diastereo- and Enantioselective Oxo-Diels–Alder Reactions for Synthesis of Fused Pyrano[2,3-b]indoles

(2012) Limin Yang et al.   ORGANIC LETTERS

Simplification through complexity: the role of Ni-complexes in catalysed diyne–cyclobutanone [4+2+2] cycloadditions, a comparative DFT study

(2012) Jia-Yuan Tao et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Enantioselective Stetter Reactions of Enals and Modified Chalcones Catalyzed by N-Heterocyclic Carbenes

(2011) Xinqiang Fang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Highly Enantioselective Synthesis of α-Amino Acid Derivatives by an NHC-Catalyzed Intermolecular Stetter Reaction

(2011) Thierry Jousseaume et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

N-Heterocyclic Carbene Catalysis: Enantioselective Formal [2+2] Cycloaddition of Ketenes and N-Sulfinylanilines

(2011) Teng-Yue Jian et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Enantioselective [2+2+2] cycloaddition of ketenes and carbon disulfide catalyzed by N-heterocyclic carbenes

(2011) Xiao-Na Wang et al.   CHEMICAL COMMUNICATIONS

A Study of Factors Affecting Enantioselectivity in the Oxidation of Aryl Benzyl Sulfides in the Presence of Chiral Titanium Catalysts

(2011) Maria Annunziata M. Capozzi et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Mechanistic Insights on N-Heterocyclic Carbene-Catalyzed Annulations: The Role of Base-Assisted Proton Transfers

(2011) Pragya Verma et al.   JOURNAL OF ORGANIC CHEMISTRY

N-Heterocyclic Carbene-Catalyzed (4 + 2) Cycloaddition/Decarboxylation of Silyl Dienol Ethers with α,β-Unsaturated Acid Fluorides

(2011) Sarah J. Ryan et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

N-Heterocyclic Carbene and Brønsted Acid Cooperative Catalysis: Asymmetric Synthesis oftrans-γ-Lactams

(2011) Xiaodan Zhao et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytic Asymmetric Intermolecular Stetter Reaction of Enals with Nitroalkenes: Enhancement of Catalytic Efficiency through Bifunctional Additives

(2011) Daniel A. DiRocco et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Catalytic Mechanism of Cytochrome P450 for 5′-Hydroxylation of Nicotine: Fundamental Reaction Pathways and Stereoselectivity

(2011) Dongmei Li et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

N-Heterocyclic carbene-catalyzed aza-Michael addition

(2011) Qiang Kang et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

NHC-Catalyzed Enantioselective [2 + 2] and [2 + 2 + 2] Cycloadditions of Ketenes with Isothiocyanates

(2011) Xiao-Na Wang et al.   ORGANIC LETTERS

Enantioselective Diels–Alder Reactions of Enals and Alkylidene Diketones Catalyzed by N-Heterocyclic Carbenes

(2011) Xinqiang Fang et al.   ORGANIC LETTERS

N-Heterocyclic carbene (NHC) catalyzed annulation of enals and vinyl ketones: a novel synthesis of [2H]-pyranones

(2011) Vijay Nair et al.   TETRAHEDRON LETTERS

The Development and Catalytic Uses of N-Heterocyclic Carbene Gold Complexes

(2010) Steven P. Nolan   ACCOUNTS OF CHEMICAL RESEARCH

N-heterocyclic carbene catalysed asymmetric cross-benzoin reactions of heteroaromatic aldehydes with trifluoromethyl ketones

(2010) Dieter Enders et al.   CHEMICAL COMMUNICATIONS

Enantioselective [4+2] cycloaddition of ketenes and 1-azadienes catalyzed by N-heterocyclic carbenes

(2010) Teng-Yue Jian et al.   CHEMICAL COMMUNICATIONS

A DFT study on enantioselective synthesis of aza-β-lactams via NHC-catalyzed [2+2] cycloaddition of ketenes with diazenedicarboxylates

(2010) Donghui Wei et al.   JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL

Mechanisms of the Au- and Pt-Catalyzed Intramolecular Acetylenic Schmidt Reactions: A DFT Study

(2010) Yuanzhi Xia et al.   JOURNAL OF ORGANIC CHEMISTRY

Computation-Guided Development of Au-Catalyzed Cycloisomerizations Proceeding via 1,2-Si or 1,2-H Migrations: Regiodivergent Synthesis of Silylfurans

(2010) Alexander S. Dudnik et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Cooperative catalysis by carbenes and Lewis acids in a highly stereoselective route to γ-lactams

(2010) Dustin E. A. Raup et al.   Nature Chemistry

Enantioselective formal [2+2] cycloaddition of ketenes with nitroso compounds catalyzed by N-heterocyclic carbenes

(2010) Tong Wang et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

On the Validity of Au-vinylidenes in the Gold-Catalyzed 1,2-Migratory Cycloisomerization of Skipped Propargylpyridines

(2010) Yuanzhi Xia et al.   ORGANIC LETTERS

Chiral N-heterocyclic carbene-catalyzed generation of ester enolate equivalents from  , -unsaturated aldehydes for enantioselective Diels-Alder reactions

(2010) J. Kaeobamrung et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Enantioselective Synthesis of Aza-β-lactams via NHC-Catalyzed [2 + 2] Cycloaddition of Ketenes with Diazenedicarboxylates

(2009) Xue-Liang Huang et al.   JOURNAL OF ORGANIC CHEMISTRY

Enantioselective Synthesis of β-Trifluoromethyl-β-lactones via NHC-Catalyzed Ketene−Ketone Cycloaddition Reactions

(2009) Xiao-Na Wang et al.   ORGANIC LETTERS

Origin of Stereoselectivity in the Imidazolidinone-Catalyzed Reductions of Cyclic α,β-Unsaturated Ketones

(2009) Osvaldo Gutierrez et al.   ORGANIC LETTERS

Stereoselective Synthesis of Bicyclic Tertiary Alcohols with Quaternary Stereocenters via Intramolecular Crossed Benzoin Reactions Catalyzed byN-Heterocyclic Carbenes

(2009) Tadashi Ema et al.   ORGANIC LETTERS

Density Functionals with Broad Applicability in Chemistry

(2008) Yan Zhao et al.   ACCOUNTS OF CHEMICAL RESEARCH

Recent advances in carbon–carbon bond-forming reactions involving homoenolates generated by NHC catalysis

(2008) Vijay Nair et al.   CHEMICAL SOCIETY REVIEWS

Mechanism, Regioselectivity, and the Kinetics of Phosphine-Catalyzed [3+2] Cycloaddition Reactions of Allenoates and Electron-Deficient Alkenes

(2008) Yong Liang et al.   CHEMISTRY-A EUROPEAN JOURNAL

Origin of Enantioselection in Hetero-Diels−Alder Reactions Catalyzed by Naphthyl-TADDOL

(2008) Christopher D. Anderson et al.   ORGANIC LETTERS