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
出版年份 2016 全文链接
标题
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
作者
关键词
-
出版物
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 18, Issue 29, Pages 19933-19943
出版商
Royal Society of Chemistry (RSC)
发表日期
2016-07-04
DOI
10.1039/c6cp03180c
参考文献
相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。- 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
- Catalytic C–C Bond Activations via Oxidative Addition to Transition Metals
- (2015) Laetitia Souillart et al. CHEMICAL REVIEWS
- Amino Acid Derived Phosphine-Catalyzed Enantioselective 1,4-Dipolar Spiroannulation of Cyclobutenones and Isatylidenemalononitrile
- (2015) Yangyan Li et al. CHEMISTRY-A EUROPEAN JOURNAL
- Insights into the Unexpected Chemoselectivity for the N-Heterocyclic Carbene-Catalyzed Annulation Reaction of Allenals with Chalcones
- (2015) Yan Qiao et al. JOURNAL OF ORGANIC CHEMISTRY
- Theoretical Investigations toward the Asymmetric Insertion Reaction of Diazoester with Aldehyde Catalyzed by N-Protonated Chiral Oxazaborolidine: Mechanisms and Stereoselectivity
- (2015) Yang Wang et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Enantioselective Rh-Catalyzed Carboacylation of C═N Bonds via C–C Activation of Benzocyclobutenones
- (2015) Lin Deng et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Cycloaddition of cyclobutenone and azomethine imine enabled by chiral isothiourea organic catalysts
- (2015) Bao-Sheng Li et al. Chemical Science
- Carbon–carbon bond activation of cyclobutenones enabled by the addition of chiral organocatalyst to ketone
- (2015) Bao-Sheng Li et al. Nature Communications
- Mechanistic Studies on Stereoselective Organocatalytic Direct β-C–H Activation in an Aliphatic Chain by Chiral N-Heterocyclic Carbenes
- (2015) Yernaidu Reddi et al. ACS Catalysis
- 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
- 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
- Highly Enantioselective Rhodium(I)-Catalyzed Carbonyl Carboacylations Initiated by CC Bond Activation
- (2014) Laetitia Souillart et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Highly Enantioselective Rhodium(I)-Catalyzed Activation of Enantiotopic Cyclobutanone CC Bonds
- (2014) Laetitia Souillart et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- Recent Advances in Transition-Metal-Catalyzed Functionalization of Unstrained Carbon–Carbon Bonds
- (2014) Feng Chen et al. CHEMICAL REVIEWS
- 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
- 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
- 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
- Is the contribution of cis and trans protonated 5-methylcytosine-SO3− isomers equal in the conversion to thymine-SO3− under bisulfite conditions? A theoretical perspective
- (2014) Lingxia Jin et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- A quantum chemical topological analysis of the C–C bond formation in organic reactions involving cationic species
- (2014) Luis R. Domingo et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- DFT calculations on kinetic data for some [4+2] reactions in solution
- (2014) Yue Li et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Between a reactant rock and a solvent hard place – molecular corrals guide aromatic substitutions
- (2013) Yan-Mei Chen et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- A new insight into the 5-carboxycytosine and 5-formylcytosine under typical bisulfite conditions: a deamination mechanism study
- (2013) Lingxia Jin et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Recent density functional theory model calculations of drug metabolism by cytochrome P450
- (2012) Dongmei Li et al. COORDINATION CHEMISTRY REVIEWS
- Highly Enantioselective Rh-Catalyzed Carboacylation of Olefins: Efficient Syntheses of Chiral Poly-Fused Rings
- (2012) Tao Xu 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
- A Nickel-Catalyzed Benzannulation Approach to Aromatic Boronic Esters
- (2011) Anne-Laure Auvinet et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- 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
- 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
- A DFT study on the reaction mechanisms of ketene–ketone [2+2+2] cycloaddition to form 3-aryglutaric anhydrides under a Lewis acid catalysis: What is the role of BF3?
- (2010) Donghui Wei et al. JOURNAL OF MOLECULAR CATALYSIS A-CHEMICAL
- 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
- Rhodium(I)-Catalyzed Enantioselective CC Bond Activation
- (2009) Christian Winter et al. ANGEWANDTE CHEMIE-INTERNATIONAL EDITION
- 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
- DFT Study of Intermolecular [4 + 2] versus [3 + 2] Cycloadditions in the Dimerization of 2,4,6-Trinitrotoluene (TNT): Regioselectivity and Stereoselectivity
- (2009) Xiao-Fang Chen et al. JOURNAL OF PHYSICAL CHEMISTRY A
- 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
Find Funding. Review Successful Grants.
Explore over 25,000 new funding opportunities and over 6,000,000 successful grants.
ExploreDiscover Peeref hubs
Discuss science. Find collaborators. Network.
Join a conversation