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1,2,4‐Triazine vs. 1,3‐ and 1,4‐Oxazinones in Normal‐ and Inverse‐Electron‐Demand Hetero‐Diels–Alder Reactions: Establishing a Status Quo by Computational Analysis

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Outgoing claims: the papers this work cites, builds on, or argues with.

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Recent Applications of the Inverse Electron Demand Diels-Alder Reaction
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Hetero Diels—Alder Methodology in Organic Synthesis
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Spin-component scaled second-order Møller–Plesset perturbation theory for the calculation of molecular geometries and harmonic vibrational frequencies
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Nucleophilicity scale for n- and π-nucleophiles
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Synthesis of pyridine and 2,2′-bipyridine derivatives from the aza Diels–Alder reaction of substituted 1,2,4-triazines
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Polysubstituted 2,3-dihydrofuro[2,3-b]pyridines and 3,4-dihydro-2H-pyrano[2,3-b]pyridines via microwave-activated inverse electron demand Diels–Alder reactions
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Understanding the regio- and chemoselective polar [3+2] cycloaddition of the Padwa carbonyl ylides with α-methylene ketones. A DFT study
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2( H )-1,4-Oxazin-2-ones as ambident azadienes
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Control of electron demand in the cycloadditions of 2(H)-1,4-oxazin-2-ones
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An efficient 1,2,4-triazine-based route to the louisianin alkaloids
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Synthesis of substituted fused pyridines, pyrazines and pyrimidines by sequential Ugi/inverse electron demand Diels–Alder transformations
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Theoretical analysis of the regioselectivity of 1,3-dipolar cycloaddition of C-(methoxycarbonyl)-N-methyl with methyl acrylate and vinyl acetate
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A condensed-to-atom nucleophilicity index. An application to the director effects on the electrophilic aromatic substitutions
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A direct evaluation of regional Fukui functions in molecules
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Intramolecular Inverse Electron Demand Diels–Alder Reactions of Tryptamine with Tethered Heteroaromatic Azadienes
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The Synthesis of 3-Functionalized 5-chloro-6-methyl-2H-1,4-oxazin-2-ones and of pyridines from cycloaddition-elimination reactions with substituted acetylenic compounds.
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Diels-alder reactions of azadienes
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Quantitative characterization of the global electrophilicity power of common diene/dienophile pairs in Diels–Alder reactions
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Synthesis of α-carbolines and β-carbolinones via intramolecular Diels-Alder reactions of 2(1H)-pyrazinones
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Selective oxidation of canthines to canthin-6-ones with triethylbenzylammonium permanganate
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Reaktivität von stickstoff-heterocyclen genenüber cyclooctin als dienophil
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Stereoselective intramolecular Diels–Alder reactions of 3-alkenyl(oxy)-2(1H)-pyrazinones
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Synthesis of pyridine derivatives using aza Diels–Alder methodology
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A ‘one pot’ microwave-mediated synthesis of the basic canthine skeleton: expedient access to unnatural β-carboline alkaloids
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Ethynyltributyltin — a synthetic equivalent for acetylene, aryl, acyl and halogeno alkynes in [4+2] cycloadditions
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1,3-Oxazine Derivatives
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Advances in Heterocyclic Chemistry
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Density functional studies of representative pericyclic reactions
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Recognition of stereochemical paths by orbital interaction
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Frontier molecular orbital theory of cycloaddition reactions
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Diels-Alder reactions of heterocyclic aza dienes. Scope and applications
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Intermolecular interactions from a natural bond orbital, donor-acceptor viewpoint
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Initial Hardness Response and Hardness Profiles in the Study of Woodward–Hoffmann Rules for Electrocyclizations
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The use of global and local molecular parameters for the analysis of the gas-phase basicity of amines
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Density functional approach to the frontier-electron theory of chemical reactivity
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Generalized frontier orbitals of alkenes and dienes. Regioselectivity in Diels-Alder reactions
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Cascade Reactions of Substituted 1,2,4-Triazines: Rapid Access to Nitrogen-Containing Polycycles
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Density Functional Theory Prediction of the Relative Energies and Isotope Effects for the Concerted and Stepwise Mechanisms of the Diels−Alder Reaction of Butadiene and Ethylene
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A Biradical Mechanism in the Diels−Alder Reactions of 5-Methylene-2(5H)-furanones: Experimental Evidence and Theoretical Rationalization
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Density Functional Theory Study of a Lewis Acid Catalyzed Diels−Alder Reaction. The Butadiene + Acrolein Paradigm
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Electrophilicity Index
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Ring transformations of 3-(diethylamino)-5-chloro-2(1H)-pyrazinones and the corresponding 2H-1,4-oxazin-2-ones on reaction with acetylenic compounds
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Indole as a dienophile in inverse electron demand Diels-Alder reactions. 3. Intramolecular reactions with 1,2,4-triazines to access the canthine skeleton
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A study of the scope of the [4 + 2] cycloaddition reactions of unactivated 1,3-oxazin-6-ones
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Indole as a dienophile in inverse electron demand Diels-Alder reactions: reactions with 1,2,4-triazines and 1,2-diazines
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Intermolecular and Intramolecular Diels−Alder Cycloadditions of 3-Ylidenepiperazine-2,5-diones and 5-Acyloxy-2(1H)-pyrazinones
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Clarification of the Mechanism of the Cascade Reactions between Amino-Substituted Heterocycles and 1,3,5-Triazines
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Investigation of the Diels−Alder Cycloadditions of 2(H)-1,4-Oxazin-2-ones
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Improved Methodologies for the Preparation of Highly Substituted Pyridines
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Cycloaddition of 3-Amino-5-chloro-2(1H)-pyrazinones and Olefins: Ring Transformation into 3-Amino- or 6-Cyano-Substituted 2-Pyridinone Systems
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Theoretical Prediction and Experimental Tests of Conformational Switches in Transition States of Diels−Alder and 1,3-Dipolar Cycloadditions to Enol Ethers
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Influence of Reactant Polarity on the Course of the Inverse-Electron-Demand Diels−Alder Reaction. A DFT Study of Regio- and Stereoselectivity, Presence of Lewis Acid Catalyst, and Inclusion of Solvent Effects in the Reaction between Nitroethene and Substituted Ethenes
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Quantitative Characterization of the Local Electrophilicity of Organic Molecules. Understanding the Regioselectivity on Diels−Alder Reactions
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Definition of a Nucleophilicity Scale
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Impact of Lewis Acids on Diels−Alder Reaction Reactivity: A Conceptual Density Functional Theory Study
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Theoretical Evaluation of Global and Local Electrophilicity Patterns to Characterize Hetero-Diels−Alder Cycloaddition of Three-Membered 2H-Azirine Ring System
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Local Softness and Hardness Based Reactivity Descriptors for Predicting Intra- and Intermolecular Reactivity Sequences: Carbonyl Compounds
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Site of Protonation in Aniline and Substituted Anilines in the Gas Phase: A Study via the Local Hard and Soft Acids and Bases Concept
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A [4 + 2] Cycloaddition Strategy to Pyridine Boronic Ester Derivatives
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Unveiling the Nature of Binding Interactions of Acetylene and Ethylene with Triangular Coinage Metal Clusters: A DFT Computational Study
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Highly substituted pyridines via tethered imine–enamine (TIE) methodology
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N-Dependence problem of local hardness parameter
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Understanding the mechanism of polar Diels–Alder reactions
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Novel cage compounds from inter-intra-molecular Diels–Alder reactions of 1,2,4-triazines with cyclo-octa-1,5-diene
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Diels-Alder Reactions of 6-Alkyl-3,5-dichloro-2H-1,4-oxazin-2-ones with Alkynes: Synthesis of 3,5-Disubstituted 2,6-Dichloropyridines
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On the condensed Fukui function
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Improved second-order Møller–Plesset perturbation theory by separate scaling of parallel- and antiparallel-spin pair correlation energies
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Electronegativity: The density functional viewpoint
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Natural population analysis
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A classical fluid-like approach to the density-functional formalism of many-electron systems
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Density functional transition states of organic and organometallic reactions
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Density-functional exchange-energy approximation with correct asymptotic behavior
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Proof that ∂ E ∂ n i = ε in density-functional theory
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Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density
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Chemistry of 1,3-Oxazin-4-ones and 6-ones.

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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Inverse Electron Demand Diels-Alder Reaction in Total Synthesis of Bioactive Natural Products
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Halogenated pyridine derivatives from cycloaddition/cycloreversion of oxazinone and haloalkyne precursors
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Application of 1,4-Oxazinone Precursors to the Construction of Pyridine Derivatives by Tandem Intermolecular Cycloaddition/Cycloreversion
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Polysubstituted Pyridines from 1,4-Oxazinone Precursors
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Synthesis of 2-Azaanthraquinones from 1,4-Oxazinone Precursors
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Reaction mechanisms: pericyclic reactions
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An experimental and theoretical study on the regioselective synthesis of a new class of spiropyrrolothiazoles with quinoxaline motifs via a 1,3-dipolar cycloaddition reaction. An evaluation of DFT methods
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Regioselective Formation of Pyridines by Cycloaddition/Cycloreversion of 1,4-Oxazinone Precursors with Bisalkyne Substrates
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AlCl3 Catalyzed Oxo-Diels-Alder and Wittig-Type Reaction of 2,3-Dimethyl-1,3-Butadiene With Acyl Phosphonates
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Reactivity and Stereoselectivity in the Inverse-Electron-Demand Diels–Alder Reaction of 1-Aza-1,3-Butadiene
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