Insights into the isothiourea-catalyzed asymmetric [4 + 2] annulation of phenylacetic acid with alkylidene pyrazolone

Theoretical study on DABCO-catalyzed ring expansion of cyclopropyl ketone: Mechanism, chemoselectivity, and role of catalyst

(2018) Qianqian Shi et al.   Computational and Theoretical Chemistry

Theoretical investigation toward organophosphine-catalyzed [3 + 3] annulation of Morita-Baylis-Hillman carbonates with azomethine imines: Mechanism, origin of stereoselectivity, and role of catalyst

(2017) Wei Zhang et al.   INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY

Computational Study on γ-C–H Functionalization of α,β-Unsaturated Ester Catalyzed by N-Heterocyclic Carbene: Mechanisms, Origin of Stereoselectivity, and Role of Catalyst

(2017) Yang Wang et al.   JOURNAL OF ORGANIC CHEMISTRY

Catalytic Enantioselective [2,3]-Rearrangements of Allylic Ammonium Ylides: A Mechanistic and Computational Study

(2017) Thomas H. West et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Claisen rearrangements of benzyl vinyl ethers: theoretical investigation of mechanism, substituent effects, and regioselectivity

(2017) Elizabeth H. Krenske et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

A computational study of the influence of methyl substituents on competitive ring closure to α- and β-lactones

(2017) Philippe B. Wilson et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

A theoretical study of ascorbic acid oxidation and HOO˙/O2˙− radical scavenging

(2017) Yi-Jung Tu et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

The potential of pnicogen bonding for catalysis – a computational study

(2017) J. Schmauck et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Mechanism of Pd-catalyzed acylation/alkenylation of aryl iodide: a DFT study

(2017) Yujie Liang et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Insights into chemoselective fluorination reaction of alkynals via N-heterocyclic carbene and Brønsted base cooperative catalysis

(2017) Wei Zhang et al.   THEORETICAL CHEMISTRY ACCOUNTS

Asymmetric [4 + 2] Annulation Reactions Catalyzed by a Robust, Immobilized Isothiourea

(2017) Shoulei Wang et al.   ACS Catalysis

Catalytic Mechanisms for Cofactor-Free Oxidase-Catalyzed Reactions: Reaction Pathways of Uricase-Catalyzed Oxidation and Hydration of Uric Acid

(2017) Donghui Wei et al.   ACS Catalysis

Computational study on NHC-catalyzed enantioselective and chemoselective fluorination of aliphatic aldehydes

(2017) Yang Wang et al.   Organic Chemistry Frontiers

A DFT Study on Mechanisms and Origin of Selectivity of Phosphine-Catalyzed Vicinal Acylcyanation of Alkynoates

(2017) Wei Wang et al.   ChemistrySelect

A DFT Study of N-Heterocyclic Carbene Catalyzed [4+2] Annulation between Saturated Carboxylate with ortho -Quinone Methide: Possible Mechanisms and Origin of Enantioselectivity

(2017) Wei Wang et al.   ChemistrySelect

Insights intoN-Heterocyclic Carbene-Catalyzed [4+2] Annulation Reaction of Enals with Nitroalkenes: Mechanisms, Origin of Chemo- and Stereoselectivity, and Role of Catalyst

(2016) Linjie Zheng et al.   Chemistry-An Asian Journal

Enantioselective Catalysis by Chiral Isothioureas

(2016) Jérémy Merad et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Insights into Stereoselective Aminomethylation Reaction of α,β-Unsaturated Aldehyde with N,O-Acetal via N-Heterocyclic Carbene and Brønsted Acid/Base Cooperative Organocatalysis

(2016) Yang Wang et al.   JOURNAL OF ORGANIC CHEMISTRY

Isothiourea-catalysed enantioselective pyrrolizine synthesis: synthetic and computational studies

(2016) Daniel G. Stark et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

A DFT study on NHC-catalyzed intramolecular aldehyde–ketone crossed-benzoin reaction: mechanism, regioselectivity, stereoselectivity, and role of NHC

(2016) Wei Zhang et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

A computational study on the N-heterocyclic carbene-catalyzed Csp2–Csp3 bond activation/[4+2] cycloaddition cascade reaction of cyclobutenones with imines: a new application of the conservation principle of molecular orbital symmetry

(2016) Yang Wang et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Non-bonding 1,5-S⋯O interactions govern chemo- and enantioselectivity in isothiourea-catalyzed annulations of benzazoles

(2016) Emily R. T. Robinson et al.   Chemical Science

DFT perspective toward [3 + 2] annulation reaction of enals with α-ketoamides through NHC and Brønsted acid cooperative catalysis: mechanism, stereoselectivity, and role of NHC

(2016) Yang Wang et al.   Organic Chemistry Frontiers

Organocatalytic Reactions Enabled by N-Heterocyclic Carbenes

(2015) Darrin M. Flanigan et al.   CHEMICAL REVIEWS

Mechanistic insights into the synergistic catalysis by Au(i), Ga(iii), and counterions in the Nakamura reaction

(2015) Rameswar Bhattacharjee et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime

(2015) Guo-Qiang Chen et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Origins of observed reactivity and specificity in the addition of B2Cl4 and analogues to unsaturated compounds

(2015) Cristina Pubill-Ulldemolins et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Mechanisms and stereoselectivities of the Rh(i)-catalyzed carbenoid carbon insertion reaction of benzocyclobutenol with diazoester

(2015) Yanyan Wang et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Exploring the scope of the isothiourea-mediated synthesis of dihydropyridinones

(2015) Pei-Pei Yeh et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Diastereoselective and Enantioselective Silylation of 2-Arylcyclohexanols

(2015) Li Wang et al.   ORGANIC LETTERS

N-Heterocyclic Carbene (NHC)-Catalyzed sp3 β-C–H Activation of Saturated Carbonyl Compounds: Mechanism, Role of NHC, and Origin of Stereoselectivity

(2015) Yanyan Wang et al.   ACS Catalysis

Mechanism of N-heterocylic carbene-catalyzed annulation of allenals with chalcones to 3-pyrancarbaldehydes or cyclopentene

(2015) Xiaoxiao Wei et al.   Catalysis Science & Technology

Mechanistic and stereoselectivity study for the reaction of trifluoropyruvates with arylpropenes catalyzed by a cationic Lewis acid rhodium complex

(2015) Yang Wang et al.   RSC Advances

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

(2015) Yang Wang et al.   Organic Chemistry Frontiers

Isothiourea-Catalyzed Asymmetric Synthesis of β-Lactams and β-Amino Esters from Arylacetic Acid Derivatives and N-Sulfonylaldimines

(2014) Siobhan R. Smith et al.   JOURNAL OF ORGANIC CHEMISTRY

Isothiourea-Mediated Asymmetric Functionalization of 3-Alkenoic Acids

(2014) Louis C. Morrill et al.   JOURNAL OF ORGANIC CHEMISTRY

Construction of 2-Pyrone Skeleton via Domino Sequence between 2-Acyl-1-Chlorocyclopropanecarboxylate and Amines

(2014) Yuequan Zhu et al.   JOURNAL OF ORGANIC CHEMISTRY

An overview of N-heterocyclic carbenes

(2014) Matthew N. Hopkinson et al.   NATURE

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

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

The mechanism and regioselectivity of gold(i) or platinum(ii) catalyzed intramolecular hydroarylation to pyrrolopyridinones and pyrroloazepinones

(2014) Ran Fang et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Investigation of transannular cycloaddition reactions involving furanoxonium ions using DFT calculations. Implications for the origin of plumarellide and rameswaralide and related polycyclic metabolites isolated from corals

(2014) B. Lygo 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

Organocatalytic Michael addition–lactonisation of carboxylic acids using α,β-unsaturated trichloromethyl ketones as α,β-unsaturated ester equivalents

(2014) Louis C. Morrill et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Ruthenium-Catalyzed Dimerization of Propiolates: A Simple Route to α-Pyrones

(2014) Rajendran Manikandan et al.   ORGANIC LETTERS

Isothiourea-Mediated One-Pot Synthesis of Trifluoromethyl Substituted 2-Pyrones

(2014) Pei-Pei Yeh et al.   ORGANIC LETTERS

α-Ketophosphonates as Ester Surrogates: Isothiourea-Catalyzed Asymmetric Diester and Lactone Synthesis

(2014) Siobhan R. Smith et al.   ORGANIC LETTERS

Isothiourea-Mediated One-Pot Synthesis of Functionalized Pyridines

(2013) Daniel G. Stark et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Fundamental Reaction Pathway and Free Energy Profile for Butyrylcholinesterase-Catalyzed Hydrolysis of Heroin

(2013) Yan Qiao et al.   BIOCHEMISTRY

Acyl anion free N-heterocyclic carbene organocatalysis

(2013) Sarah J. Ryan et al.   CHEMICAL SOCIETY REVIEWS

Rapid assembly of complex cyclopentanes employing chiral, α,β-unsaturated acylammonium intermediates

(2013) Gang Liu et al.   Nature Chemistry

2-Arylacetic anhydrides as ammonium enolate precursors

(2013) Louis C. Morrill et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Silylation-Based Kinetic Resolution of α-Hydroxy Lactones and Lactams

(2013) Robert W. Clark et al.   ORGANIC LETTERS

Kinetic Resolution of N-Acyl-Thiolactams via Catalytic Enantioselective Deacylation

(2013) Valentina D. Bumbu et al.   ORGANIC LETTERS

Anhydrides as α,β-unsaturated acyl ammonium precursors: isothiourea-promoted catalytic asymmetric annulation processes

(2013) Emily R. T. Robinson et al.   Chemical Science

Isothiourea-mediated asymmetric Michael-lactonisation of trifluoromethylenones: a synthetic and mechanistic study

(2013) Louis C. Morrill et al.   Chemical Science

Exploiting Acyl and Enol Azolium Intermediates via N-Hetero- cyclic Carbene-Catalyzed Reactions of α-Reducible Aldehydes

(2012) Harit U. Vora et al.   ADVANCED SYNTHESIS & CATALYSIS

Total Synthesis of Neurymenolide A Based on a Gold-Catalyzed Synthesis of 4-Hydroxy-2-pyrones

(2012) Wojciech Chaładaj et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Dihydropyridones: Catalytic Asymmetric Synthesis, N- to C-Sulfonyl Transfer, and Derivatizations

(2012) Carmen Simal et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Cinchona-based Primary Amine Catalysis in the Asymmetric Functionalization of Carbonyl Compounds

(2012) Paolo Melchiorre   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Amidines, isothioureas, and guanidines as nucleophilic catalysts

(2012) James E. Taylor et al.   CHEMICAL SOCIETY REVIEWS

Kinetic Resolution of Secondary Alcohols Using Amidine-Based Catalysts

(2012) Ximin Li et al.   JOURNAL OF ORGANIC CHEMISTRY

Catalytic, Enantioselective N-Acylation of Lactams and Thiolactams Using Amidine-Based Catalysts

(2012) Xing Yang et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Dyotropic Rearrangements of Fused Tricyclic β-Lactones: Application to the Synthesis of (−)-Curcumanolide A and (−)-Curcumalactone

(2012) Carolyn A. Leverett 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

Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions

(2012) Luis R. Domingo et al.   RSC Advances

Nonenzymatic Dynamic Kinetic Resolution of α-(Arylthio)- and α-(Alkylthio)alkanoic Acids

(2011) Xing Yang et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Isothiourea-Catalysed Asymmetric C-Acylation of Silyl Ketene Acetals

(2011) Philip A. Woods et al.   CHEMISTRY-A EUROPEAN JOURNAL

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

Synthesis and Catalytic Properties of 4-Aryl-2,3-dihydro-4H-pyrimido[2,3-b]benzothiazoles for Asymmetric Acyl or Carboxyl Group Transfer Reactions

(2011) Baby Viswambharan et al.   JOURNAL OF ORGANIC CHEMISTRY

A Selective Intramolecular 5-exo-dig or 6-endo-dig Cyclization en Route to 2-Furanone or 2-Pyrone Containing Tricyclic Scaffolds

(2011) Christoffer Bengtsson et al.   JOURNAL OF ORGANIC CHEMISTRY

Organocatalytic Functionalization of Carboxylic Acids: Isothiourea-Catalyzed Asymmetric Intra- and Intermolecular Michael Addition−Lactonizations

(2011) Dorine Belmessieri et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Syntheses of α-Pyrones Using Gold-Catalyzed Coupling Reactions

(2011) Tuoping Luo et al.   ORGANIC LETTERS

A thorough benchmark of density functional methods for general main group thermochemistry, kinetics, and noncovalent interactions

(2011) Lars Goerigk et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Recent advances in asymmetric catalysis with cinchona alkaloid-based primary amines

(2011) Lin Jiang et al.   Catalysis Science & Technology

Enantioselective, Organocatalyzed, Intramolecular Aldol Lactonizations with Keto Acids Leading to Bi- and Tricyclic β-Lactones and Topology-Morphing Transformations

(2010) Carolyn A. Leverett et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Revealing Noncovalent Interactions

(2010) Erin R. Johnson et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Isothiourea-Mediated StereoselectiveC-Acylation of Silyl Ketene Acetals

(2010) Philip A. Woods et al.   ORGANIC LETTERS

Benzotetramisole-Catalyzed Dynamic Kinetic Resolution of Azlactones

(2010) Xing Yang 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

An Analysis of the Regioselectivity of 1,3-Dipolar Cycloaddition Reactions of BenzonitrileN-Oxides Based on Global and Local Electrophilicity and Nucleophilicity Indices

(2009) Luis R. Domingo et al.   EUROPEAN JOURNAL OF ORGANIC CHEMISTRY

Toward an Understanding of the Unexpected Regioselective Hetero-Diels−Alder Reactions of Asymmetric Tetrazines with Electron-Rich Ethylenes: A DFT Study†

(2009) Luis R. Domingo et al.   JOURNAL OF ORGANIC CHEMISTRY

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

(2009) Osvaldo Gutierrez et al.   ORGANIC LETTERS

Natural and synthetic 2H-pyran-2-ones and their versatility in organic synthesis

(2009) Atul Goel et al.   TETRAHEDRON

Density Functionals with Broad Applicability in Chemistry

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

An Understanding of the Electrophilic/Nucleophilic Behavior of Electro-Deficient 2,3-Disubstituted 1,3-Butadienes in Polar Diels−Alder Reactions. A Density Functional Theory Study

(2008) Luis R. Domingo et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Concise Synthesis of Spirocyclic, Bridged γ-Butyrolactones via Stereospecific, Dyotropic Rearrangements of β-Lactones Involving 1,2-Acyl and δ-Lactone Migrations

(2008) Vikram C. Purohit et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

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

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

Convenient Synthesis of Ethyl 4-Aryl-6-(trifluoromethyl)-2-oxo-2H-pyran-3-carboxylates and 4-Aryl-6-(trifluoromethyl)-2H-pyran-2-ones: Novel Highly Reactive CF3-Containing Building Blocks

(2008) Boris I. Usachev et al.   ORGANIC LETTERS