Search Results - "Kula, Karolina"
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Unexpected Course of Reaction Between (1E,3E)-1,4-Dinitro-1,3-butadiene and N-Methyl Azomethine Ylide—A Comprehensive Experimental and Quantum-Chemical Study
Published in Molecules (Basel, Switzerland) (26-10-2024)“…In recent times, interest in the chemistry of conjugated nitrodienes is still significantly increasing. In particular, the application of these compounds as…”
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(1 E ,3 E )-1,4-Dinitro-1,3-butadiene-Synthesis, Spectral Characteristics and Computational Study Based on MEDT, ADME and PASS Simulation
Published in Molecules (Basel, Switzerland) (01-01-2024)“…The chemistry of conjugated nitrodienes is becoming increasingly popular. These molecules are successfully applied in cycloaddition to synthesize six-membered…”
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Regio- and stereoselectivity of [3+2] cycloaddition reactions between (Z)-1-(anthracen-9-yl)-N-methyl nitrone and analogs of trans-β-nitrostyrene on the basis of MEDT computational study
Published in Chemistry of heterocyclic compounds (New York, N.Y. 1965) (01-03-2023)“…The regio- and stereoselectivity of [3+2] cycloaddition reactions of ( Z )-1-(anthracen-9-yl)- N -methyl nitrone with analogs of trans -β-nitrostyrene were…”
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Nitro-functionalized analogues of 1,3-Butadiene: An overview of characteristic, synthesis, chemical transformations and biological activity
Published in Current chemistry letters (01-01-2024)“…The nitrovinyl moiety is surely one of the most reactive fragments in organic chemistry, continuously employed to explore original pathways and reach new…”
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A DFT Study on the Molecular Mechanism of Additions of Electrophilic and Nucleophilic Carbenes to Non-Enolizable Cycloaliphatic Thioketones
Published in Molecules (Basel, Switzerland) (13-09-2021)“…The molecular mechanisms of addition of dihalocarbenes and dimethoxycarbene to thioketones derived from 2,2,4,4-tetrmethylcyclobutane-1,3-dione were examined…”
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A DFT Study on the Barton–Kellogg Reaction – The Molecular Mechanism of the Formation of Thiiranes in the Reaction between Diphenyldiazomethane and Diaryl Thioketones
Published in European journal of organic chemistry (16-01-2020)“…The mechanism of the reaction of diphenyldiazomethane with thiobenzophenone and related hetaryl thioketones leading to the corresponding tetrasubstituted…”
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The global and local Reactivity of C,N-diarylnitryle imines in [3+2] cycloaddition processes with trans-β-nitrostyrene according to Molecular Electron Density Theory: A computational study
Published in Current chemistry letters (2023)“…The regioselectivity of the [3+2] cycloaddition reactions between trans-β-nitrostyrene and C,N-diarylnitryle imine analogues as three atom components (TACs)…”
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The Participation of 3,3,3-Trichloro-1-nitroprop-1-ene in the [3 + 2] Cycloaddition Reaction with Selected Nitrile N -Oxides in the Light of the Experimental and MEDT Quantum Chemical Study
Published in Molecules (Basel, Switzerland) (09-11-2021)“…The regioselective [3 + 2] cycloaddition (32CA) reactions of a series of aryl-substituted nitrile -oxides (NOs) with trichloronitropropene (TNP) have been both…”
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On the Question of the Formation of Nitro-Functionalized 2,4-Pyrazole Analogs on the Basis of Nitrylimine Molecular Systems and 3,3,3-Trichloro-1-Nitroprop-1-Ene
Published in Molecules (Basel, Switzerland) (01-12-2022)“…Experimental and theoretical studies on the reaction between ( )-3,3,3-trichloro-1-nitroprop-1-ene and -(4-bromophenyl)-C-arylnitrylimine were performed. It…”
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10
Arylcyanomethylenequinone Oximes: An Overview of Synthesis, Chemical Transformations, and Biological Activity
Published in Molecules (Basel, Switzerland) (01-07-2023)“…Quinone methides are a class of biologically active compounds that can be used in medicine as antibacterial, antifungal, antiviral, antioxidant, and…”
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Experimental and Theoretical Mechanistic Study on the Thermal Decomposition of 3,3-diphenyl-4-(trichloromethyl)-5-nitropyrazoline
Published in Molecules (Basel, Switzerland) (04-03-2021)“…The present paper is a continuation of comprehensive study regarding to synthesis and properties of pyrazoles and their derivatives. In its framework an…”
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Local nucleophile-electrophile interactions in [3+2] cycloaddition reactions between benzonitrile N-oxide and selected conjugated nitroalkenes in the light of MEDT computational study
Published in Current chemistry letters (2021)“…Indole is a hazardous substance existing in the curl oil, which released to the environment by various industrial activities; thus, decreasing its ratio from…”
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A DFT computational study on the [3+2] cycloaddition between parent thionitrone and nitroethene
Published in Current chemistry letters (2018)“…A molecular mechanism of the [3+2] cycloaddition has been explored using various DFT theoretical levels. It was found that the reaction proceeds via transition…”
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14
Regio- and stereoselective synthesis of nitrofunctionalized 1,2-oxazolidine analogs of nicotine
Published in Chemistry of heterocyclic compounds (New York, N.Y. 1965) (2020)“…( E )-3,3,3-Trichloro-1-nitroprop-1-ene undergoes [3+2] cycloaddition reaction with N -aryl(pyridin-3-yl) nitrones under mild conditions. The reaction is fully…”
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Recent progress in the field of cycloaddition reactions involving conjugated nitroalkenes
Published in Current chemistry letters (2019)“…In this review we present recent progress in the cycloaddition reactions of conjugated nitroalkenes with alkenes, conjugated 1,3-dienes or three atoms…”
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Novel functionalized β-nitrostyrenes: Promising candidates for new antibacterial drugs
Published in Saudi pharmaceutical journal (01-05-2019)“…[Display omitted] •A homogenous series of β-EWG functionalyzed β-nitrostyrenes was synthesized and characterized by IR, UV, 1H NMR and 13C NMR spectra.•The…”
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On the Mechanism of the Synthesis of Nitrofunctionalised Δ2-Pyrazolines via [3+2] Cycloaddition Reactions between α-EWG-Activated Nitroethenes and Nitrylimine TAC Systems
Published in Organics (Basel) (01-03-2022)“…We investigated the reactivity of different substituted nitrylimine-type three atom components (TACs) in [3+2] cycloaddition (32CAs) reactions with…”
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Unveiling the Reactivity of Cyclic Azomethine Ylides in [3+2] Cycloaddition Reactions within the Molecular Electron Density Theory
Published in European journal of organic chemistry (08-10-2020)“…The [3+2] cycloaddition (32CA) reactions of cyclic azomethine ylides with a series of acetylene derivatives have been studied within the Molecular Electron…”
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Application of β-Phosphorylated Nitroethenes in [3+2] Cycloaddition Reactions Involving Benzonitrile N-Oxide in the Light of a DFT Computational Study
Published in Organics (Basel) (01-03-2021)“…The regiochemistry of [3+2] cycloaddition (32CA) processes between benzonitrile N-oxide 1 and β-phosphorylated analogues of nitroethenes 2a–c has been studied…”
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Understanding the Participation of Fluorinated Azomethine Ylides in Carbenoid-Type [3 + 2] Cycloaddition Reactions with Ynal Systems: A Molecular Electron Density Theory Study
Published in Journal of organic chemistry (17-09-2021)“…The carbenoid-type (cb-type) 32CA reaction of 1,1-difluoroated azomethine ylide (DFAY) with phenylpropynal has been studied using the molecular electron…”
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