Predicting the chemical reactivity of organic materials using a machine-learning approach

Byungju Lee, Jaekyun Yoo and Kisuk Kang

Chem. Sci., 2020, 11, 7813
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Understanding the thermal dehydrochlorination reaction of 1-chlorohexane. Revealing the driving bonding pattern at the planar catalytic reaction center

Lina López, Pablo Ruiz, Manuela Castro, Jairo Quijano, Mario Duque-Noreña, Patricia Pérez and Eduardo Chamorro

RSC Adv., 2015, 5, 62946
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A new C–C bond formation model based on the quantum chemical topology of electron density

Luis R. Domingo

RSC Adv., 2014, 4, 32415
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Regio- and diastereoselectivity of the 1,3-dipolar cycloaddition of α-aryl nitrone with methacrolein. A theoretical investigation

Wafaa Benchouk and Sidi Mohamed Mekelleche

RSC Adv., 2015, 5, 22126
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Substituent-controlled photocyclization pathways of 3H-azepines: insights from TD-DFT and bonding evolution theory

Cristian J. Guerra, Leandro Ayarde-Henríquez, Patricia Pérez, Eduardo Chamorro, Jorge Soto-Delgado, Jorge Nader-Bastidas, Yeray A. Rodríguez-Núñez, Diana B. Ramírez-León and Adolfo E. Ensuncho

New J. Chem., 2026, 50, 3332
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Understanding the formation of [3+2] and [2+4] cycloadducts in the Lewis acid catalysed reaction between methyl glyoxylate oxime and cyclopentadiene: a theoretical study

Lydia Rhyman, Ponnadurai Ramasami, John A. Joule, José A. Sáez and Luis R. Domingo

RSC Adv., 2013, 3, 447
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Synthesis of thiopyran derivatives via [4 + 2] cycloaddition reactions

Maryam Mousavi-Ebadia, Javad Safaei-Ghomi and Masoumeh Jadidi Nejad

RSC Adv., 2025, 15, 11160
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Origin of the synchronicity in bond formation in polar Diels–Alder reactions: an ELF analysis of the reaction between cyclopentadiene and tetracyanoethylene

Luis R. Domingo, Patricia Pérez and Jose A. Sáez

Org. Biomol. Chem., 2012, 10, 3841
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A mechanistic insight into the effect of piperidine as an organocatalyst on the [3 + 2] cycloaddition reaction of benzalacetone with phenyl azide from a computational study

J. Tajabadi, M. Bakavoli, M. Gholizadeh and H. Eshghi

Org. Biomol. Chem., 2016, 14, 7324
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Ionic Diels–Alder reaction of 3-bromofuran toward the highly electron deficient cyclobuteniminium cation: a regio- and stereoselectivity, and molecular mechanism study using DFT

Saeedreza Emamian, Seyed javad Hosseini and Khadije-sadat Ravani

RSC Adv., 2015, 5, 98538
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Theoretical exploration of the 4π-photocyclization mechanism of α-tropone derivatives

Cristian Guerra, Yeray A. Rodríguez-Núñez, Manuel E. Taborda-Martínez, Mitchell Bacho, Rafael Miranda-Pastrana and Adolfo E. Ensuncho

New J. Chem., 2024, 48, 17633
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A molecular electron density theory study of the participation of tetrazines in aza-Diels–Alder reactions

Luis R. Domingo, Mar Ríos-Gutiérrez and Patricia Pérez

RSC Adv., 2020, 10, 15394
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Understanding the local reactivity in polar organic reactions through electrophilic and nucleophilic Parr functions

Luis R. Domingo, Patricia Pérez and José A. Sáez

RSC Adv., 2013, 3, 1486
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Theoretical study on the molecular mechanism of the [5 + 2] vs. [4 + 2] cyclization mediated by Lewis acid in the quinone system

Jorge Soto-Delgado, José A. Sáez, Ricardo A. Tapia and Luis R. Domingo

Org. Biomol. Chem., 2013, 11, 8357
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Reaction mechanisms: pericyclic reactions

Dean J. Tantillo and Jeehiun K. Lee

Annu. Rep. Prog. Chem., Sect. B: Org. Chem., 2011, 107, 266
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A quantum chemical topological analysis of the C–C bond formation in organic reactions involving cationic species

Luis R. Domingo and Patricia Pérez

Phys. Chem. Chem. Phys., 2014, 16, 14108
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Understanding the mechanism of the Povarov reaction. A DFT study

Luis R. Domingo, María J. Aurell, José A. Sáez and Sidi M. Mekelleche

RSC Adv., 2014, 4, 25268
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Introducing topology to assess the synchronicity of organic reactions. Dual reactivity of oximes with alkenes as a case study

Pedro Merino, Maria A. Chiacchio, Laura Legnani, Ignacio Delso and Tomas Tejero

Org. Chem. Front., 2017, 4, 1541
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A theoretical study of imine-ene reaction influencing factors

Qiwu Yang, Yan Liu and Wenqin Zhang

Org. Biomol. Chem., 2011, 9, 6343
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Curly arrows meet electron density transfers in chemical reaction mechanisms: from electron localization function (ELF) analysis to valence-shell electron-pair repulsion (VSEPR) inspired interpretation

Juan Andrés, Sławomir Berski and Bernard Silvi

Chem. Commun., 2016, 52, 8183
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How does the global electron density transfer diminish activation energies in polar cycloaddition reactions? A Molecular Electron Density Theory study

Luis R. Domingo, Mar Ríos-Gutiérrez and Patricia Pérez

Tetrahedron, 2017, 73, 1718
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The increased Diels–Alder reactivity of umpolung tropone: analysis of individual atoms and bonds using QTAIM and IQA along complete IRC paths

Wagner Eduardo Richter

J of Physical Organic Chem, 2024, 37
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Concerted vs Stepwise Mechanisms in Dehydro-Diels–Alder Reactions

Aida Ajaz, Alexander Z. Bradley, Richard C. Burrell, William Hoi Hong Li, Kimberly J. Daoust, Laura Boddington Bovee, Kenneth J. DiRico and Richard P. Johnson

J. Org. Chem., 2011, 76, 9320
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A DFT study on the mechanism of the formation of 1,4,2,3‐dithiadiazinanes by head‐to‐head [3 + 3] cyclodimerization of thiocarbonylS‐imides

Dirk Buddensiek, Grzegorz Mlostoń, Piotr Matczak and Jürgen Voss

J of Physical Organic Chem, 2021, 34
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Symmetry-adapted reaction electronic flux in cycloaddition reactions

Nery Villegas-Escobar, Stefan Vogt-Geisse, Soledad Gutiérrez-Oliva and Alejandro Toro-Labbé

Theor Chem Acc, 2016, 135
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Multiselective Diels–Alder Reaction of α-Arylacroleins Catalyzed by Boron Tribromide-Assisted Chiral Phosphoric Acids

Kai Matsui, Kohei Toh, Manabu Hatano and Kazuaki Ishihara

Org. Lett., 2022, 24, 6483
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Revealing Stepwise Mechanisms in Dipolar Cycloaddition Reactions: Computational Study of the Reaction between Nitrones and Isocyanates

Andrea Darù, David Roca-López, Tomás Tejero and Pedro Merino

J. Org. Chem., 2016, 81, 673
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Dimerization of quercetin, Diels-Alder vs. radical-coupling approach: a joint thermodynamics, kinetics, and topological study

Isabelle Fourré, Florent Di Meo, Pavlína Podloucká, Michal Otyepka and Patrick Trouillas

J Mol Model, 2016, 22
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A molecular electron density theory study of Diels‐Alder reaction between Danishefsky's diene and (2E)‐3‐phenyl‐2‐(trifluoromethyl) acrylonitrile

Tooba Afshari and Mohsen Mohsennia

J of Physical Organic Chem, 2019, 32
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Charge‐based DFT descriptors for Diels‐Alder reactions

Kartick Gupta, Santanab Giri and P. K. Chattaraj

J of Physical Organic Chem, 2013, 26, 187
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On the electron flow sequence driving the hydrometallation of acetylene by lithium hydride

Eduardo Chamorro, Mario Duque-Noreña, Savaş Kaya, Elizabeth Rincón and Patricia Pérez

J Mol Model, 2018, 24
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Unraveling the sequence of the electronic flow along the water-assisted ring-opening reaction in mutagen MX

Eduardo Chamorro and Elizabeth Rincón

Theor Chem Acc, 2019, 138
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Understanding Bond Formation in Polar One-Step Reactions. Topological Analyses of the Reaction between Nitrones and Lithium Ynolates

David Roca-López, Victor Polo, Tomás Tejero and Pedro Merino

J. Org. Chem., 2015, 80, 4076
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Azo-hydrazo conversion via [1,5]-hydrogen shifts. A combined experimental and theoretical study

Edikarlos M. Brasil, Rosivaldo S. Borges, Oscar A.S. Romero, Claudio N. Alves, Jose A. Sáez and Luis R. Domingo

Tetrahedron, 2012, 68, 6902
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BET & ELF Quantum Topological Analysis of Neutral 2-Aza-Cope Rearrangement of γ-Alkenyl Nitrones

Pedro Merino, Maria Chiacchio, Laura Legnani and Tomás Tejero

Molecules, 2017, 22, 1371
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Diels‐Alder Reaction of Oxazolidine‐fused Butadienes Toward Alkenes: Shedding Light on the Energetics, Selectivities, and Molecular Mechanistic Aspects by a Density Functional Theory Study

Saeedreza Emamian and Majid Salami

ChemistrySelect, 2023, 8
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Synthesis and Diels–Alder Cycloadditions of exo-Imidazolidin-2-one Dienes

Rafael Bautista, Pablo Bernal, Rafael Herrera, Blanca M. Santoyo, J. Miguel Lazcano-Seres, Francisco Delgado and Joaquín Tamariz

J. Org. Chem., 2011, 76, 7901
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Computational study of one-step polar Diels–Alder reactions using the NEB method for the minimum energy paths search

Miguel A. Díaz, José G. Parra and David S. Coll

Molecular Simulation, 2017, 43, 644
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Understanding the Electronic Reorganization along the Nonpolar [3 + 2] Cycloaddition Reactions of Carbonyl Ylides.

Luis R. Domingo and José A. Sáez

J. Org. Chem., 2011, 76, 373
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On the Question of the Regio-, Stereoselectivity and the Molecular Mechanism of the (3+2) Cycloaddition Reaction Between (Z)-C-Phenyl-N-alkyl(phenyl)nitrones and (E)-3-(Methylsulfonyl)-propenoic Acid Derivatives

Martyna Ząbkowska, Karolina Kula, Volodymyr Diychuk and Radomir Jasiński

Molecules, 2025, 30, 4738
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Are There Only Fold Catastrophes in the Diels–Alder Reaction Between Ethylene and 1,3-Butadiene?

Leandro Ayarde-Henríquez, Cristian Guerra, Mario Duque-Noreña, Elizabeth Rincón, Patricia Pérez and Eduardo Chamorro

J. Phys. Chem. A, 2021, 125, 5152
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Understanding the Kinetics and Topological Events Within the Thione‐to‐Thiol Rearrangement of Xanthates

Fereshteh S. Karimi, Ahmad Seif and Ehsan Zahedi

ChemistrySelect, 2022, 7
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Quantum chemical modeling, molecular docking, and ADMET evaluation of imidazole phenothiazine hybrids

Deepanjali Shukla, Iqbal Azad, Sabahat Yasmeen Sheikh, Saud Nusrat Ali, Naseem Ahmad, Azhar Kamal, Mohd Faiyyaz, Abdul Rahman Khan, Varish Ahmad, Anwar A. Alghamdi, Malik Nasibullah and Firoj Hassan

Sci Rep, 2025, 15
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A theoretical investigation on the regioselectivity of the [3+2] cycloaddition of nitrile oxide and N-vinylpyrrole

Fariba Modanlou and Mahshid Hamzehloueian

Struct Chem, 2018, 29, 9
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Topology Meets Reactivity: Rationalizing Electron Rearrangements in Cycloadditions Through Thom’s Polynomials and Bonding Evolution Theory

Leandro Ayarde-Henríquez, Cristian J. Guerra, Hans Lenes, Elizabeth Rincón and Eduardo Chamorro

Reactions, 2026, 7, 1
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A molecular electron density theory study of polar Diels-Alder reaction between 2,4–dimethyl–5–ethoxyoxazole and ethyl 4,4,4–trifluorocrotonate

Tooba Afshari, Mohsen Mohsennia and Mahdi Rezaei Sameti

Struct Chem, 2021, 32, 805
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Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry

Luis Domingo

Molecules, 2016, 21, 1319
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On the Question of Stepwise [4+2] Cycloaddition Reactions and Their Stereochemical Aspects

Radomir Jasiński

Symmetry, 2021, 13, 1911
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Synthesis of bis(het)aryl systems via domino reaction involving (2E,4E)-2,5-dinitrohexa-2,4-diene: DFT mechanistic considerations

Karolina Kula and Radomir Jasiński

Chem Heterocycl Comp, 2024, 60, 600
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Collective Synthesis of Illudalane Sesquiterpenes via Cascade Inverse Electron Demand (4 + 2) Cycloadditions of Thiophene S,S-Dioxides

Kun Ho Kenny Park, Nils Frank, Fernanda Duarte and Edward A. Anderson

J. Am. Chem. Soc., 2022, 144, 10017
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Applications of the Conceptual Density Functional Theory Indices to Organic Chemistry Reactivity

Luis Domingo, Mar Ríos-Gutiérrez and Patricia Pérez

Molecules, 2016, 21, 748
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Understanding the thermal [1s,5s] hydrogen shift isomerization of ocimene

Eduardo Chamorro, Pablo Ruiz, Jairo Quijano, Diana Luna, Laura Restrepo, Sandra Zuluaga and Mario Duque-Noreña

J Mol Model, 2014, 20
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Does Cr(CO)3 Really behave as Catalyst in the Diels‐Alder Reaction of Styrene with Cyclopentadiene? A Molecular Electron Density Theory Study

Luis R. Domingo, María José Aurell and Mar Ríos‐Gutiérrez

ChemistrySelect, 2022, 7
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Unveiling the Reaction Mechanism of Diels‐Alder Cycloadditions between 2,5‐Dimethylfuran and Ethylene Derivatives Using Topological Tools

Mohamed Chellegui, Abel Idrice Adjieufack, Mahmoud Trabelsi, Vincent Liégeois and Benoît Champagne

ChemPhysChem, 2025, 26
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Computational Evidence of the Incipient Oxocarbenium Ion as a “Hidden Intermediate” During the Cyclization of Hydroxyenol Ether into Spiroketal Under Mild Acidic Condition

Sana Jindani and Bishwajit Ganguly

Chemistry A European J, 2023, 29
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Gold(I)-Catalyzed Intramolecular Diels–Alder Reaction: Evolution of Trappable Intermediates via Asynchronous Transition States

Nilangshu Mandal and Ayan Datta

J. Org. Chem., 2018, 83, 11167
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Stereoselectivity of the captodative alkenes 1-acetylvinyl arenecarboxylates in Diels-Alder reactions with cyclic dienes and stereospecific rearrangement of their bicyclo[2.2.n] α-ketol adducts

Raúl Aguilar, Blanca M. Santoyo, Daniel Zárate-Zárate, Miguel A. Vázquez, Rosa M. Padilla, Hugo A. Jiménez-Vázquez and Joaquín Tamariz

Arabian Journal of Chemistry, 2020, 13, 900
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Nature of the ring‐closure process along the rearrangement of octa‐1,3,5,7‐tetraene to cycloocta‐1,3,5‐triene from the perspective of the electron localization function and catastrophe theory

J. Andrés, S. Berski, L. R. Domingo and P. González‐Navarrete

J Comput Chem, 2012, 33, 748
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Concerted Albeit Not Pericyclic Cycloadditions: Understanding the Mechanism of the (4+3) Cycloaddition between Nitrones and 1,2‐Diaza‐1,3‐dienes

Manuel Pedrón, Ignacio Delso, Tomás Tejero and Pedro Merino

Eur J Org Chem, 2019, 2019, 391
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Theoretical Study on the Conversion Mechanism of Biobased 2,5-Dimethylfuran and Acrylic Acid into Aromatics Catalyzed by Brønsted Acid Ionic Liquids

Zhaoyang Ju, Xiaoqian Yao, Xiaomin Liu, Lingli Ni, Jiayu Xin and Weihua Xiao

Ind. Eng. Chem. Res., 2019, 58, 11111
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A mechanistic study of the participation of azomethine ylides and carbonyl ylides in [3+2] cycloaddition reactions

Luis R. Domingo, Maria J. Aurell and Patricia Pérez

Tetrahedron, 2015, 71, 1050
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Mechanistic and Kinetic Factors of ortho‐Benzyne Formation in Hexadehydro‐Diels‐Alder (HDDA) Reactions

Jan Maier and Todd B. Marder

Chemistry A European J, 2021, 27, 7978
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Towards a unified fold-cusp model for bond polarity scaling: electron rearrangements in the pyrolytic isomerization of cubane to cyclooctatetraene

Leandro Ayarde-Henríquez, Cristian Guerra, Patricia Pérez and Eduardo Chamorro

J Mol Model, 2025, 31
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Theoretical B3LYP study of contrast agent metrizoate

Sedat Giray Kandemirli, M. İzzettin Yılmazer, Murat Saraçoğlu and Fatma Kandemirli

International Journal of Chemistry and Technology, 2020, 4, 60
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Highs and Lows of Bond Lengths: Is There Any Limit?

Alvaro Lobato, Miguel A. Salvadó, J. Manuel Recio, Mercedes Taravillo and Valentín G. Baonza

Angewandte Chemie, 2021, 133, 17165
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Integrated in vitro and in silico antimicrobial activity of a novel pyrazoline derivative

Benjamin Siddiqui, Chandra Shekhar Yadav, Atul Krishna, Jai Kishan, Varish Ahmad, Firoj Hassan, Naseem Ahmad, Yusuf Akhter and Iqbal Azad

Journal of Molecular Structure, 2026, 1362, 145720
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Following the Molecular Mechanism of Decarbonylation of Unsaturated Cyclic Ketones Using Bonding Evolution Theory Coupled with NCI Analysis

Ehsan Zahedi, Samaneh Shaabani and Abolfazl Shiroudi

J. Phys. Chem. A, 2017, 121, 8504
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Understanding the regioselectivity in hetero Diels–Alder reactions. An ELF analysis of the reaction between nitrosoethylene and 1-vinylpyrrolidine

Luis R. Domingo, Patricia Pérez and Jose A. Sáez

Tetrahedron, 2013, 69, 107
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Kinetic and mechanistic study on the pyrolysis of 1,3-dihydroisothianaphthene-2,2-dioxide toward benzocyclobutene using RRKM and BET theories

Ehsan Zahedi, Majid Mozaffari, Leyla Yousefi, Abolfazl Shiroudi and Michael S. Deleuze

Chemical Physics, 2017, 483-484, 12
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Determination of anticancer activity and mechanism of action of benzooxazepines (BZOs) derivatives using multipronged computational and structural approaches

Iqbal Azad, Pragya Anand, Naseem Ahmad, Firoj Hassan, Mohd Faiyyaz and Yusuf Akhter

Chemical Physics, 2024, 581, 112243
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Stepwise Diels–Alder: More than Just an Oddity? A Computational Mechanistic Study

Mats Linder and Tore Brinck

J. Org. Chem., 2012, 77, 6563
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Understanding the kinetics and mechanism of thermal cheletropic elimination of N2 from (2,5-dihydro-1H-pyrrol-1-ium-1-ylidene) amide using RRKM and ELF theories

Ehsan Zahedi, Majid Mozaffari, Farzaneh Shahsavar, Abolfazl Shiroudi and Michael S. Deleuze

Res Chem Intermed, 2017, 43, 1575
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Inquiry of the reaction paths in thermal retro-Diels–Alder reactions in the gas phase: Theoretical study on the concerted and stepwise elimination mechanisms of cyclohexenes

Beatriz Ramirez, Tania Cordova, Fernando Ruette and Gabriel Chuchani

Computational and Theoretical Chemistry, 2015, 1067, 103
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Mechanistic Insights into the Stepwise Diels–Alder Reaction of 4,6-Dinitrobenzofuroxan

Mats Linder, Adam Johannes Johansson and Tore Brinck

Org. Lett., 2012, 14, 118
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A DFT study of the mechanism of Brønsted acid catalysed Povarov reactions

Mar Ríos-Gutiérrez, Hatem Layeb and Luis R. Domingo

Tetrahedron, 2015, 71, 9339
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Highs and Lows of Bond Lengths: Is There Any Limit?

Alvaro Lobato, Miguel A. Salvadó, J. Manuel Recio, Mercedes Taravillo and Valentín G. Baonza

Angew Chem Int Ed, 2021, 60, 17028
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Enhanced Sampling Simulation Reveals How Solvent Influences Chirogenesis of the Intra-Molecular Diels–Alder Reaction

Xu Han, Jun Zhang, Yi Isaac Yang, Zhen Zhang, Lijiang Yang and Yi Qin Gao

J. Chem. Theory Comput., 2022, 18, 4318
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Understanding the sequence of the electronic flow along the HCN/CNH isomerization within a bonding evolution theory quantum topological framework

Eduardo Chamorro, Yolanda Prado, Mario Duque-Noreña, Nestor Gutierrez-Sánchez and Elizabeth Rincón

Theor Chem Acc, 2019, 138
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Revealing carbocations in highly asynchronous concerted reactions: The ene-type reaction between dithiocarboxylic acids and alkenes

Maria-Assunta Chiacchio, Laura Legnani, Pierluigi Caramella, Tomás Tejero and Pedro Merino

Tetrahedron, 2018, 74, 5627
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Elucidation of the molecular mechanisms of 1,2,3,5- and 1,2,4,5-tetrazines with strained and electron-rich alkynes

Mahshid Hamzehloueian and Mina Haghdadi

Tetrahedron, 2022, 119, 132860
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Investigation of thia-Diels–Alder Reactions by Ultrafast Transient Absorption Spectroscopy and DFT Calculations

Dandan Yin, Yan Guo, Tongyu Xu and Jiani Ma

ACS Omega, 2024, 9, 14436
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Zinc‐Catalyzed Tandem Diels–Alder Reactions of Enynals with Alkenes: Generation and Trapping of Cyclic o‐Quinodimethanes (o‐QDMs)

Jiantao Zhang, Yelin Xiao, Kai Chen, Wanqing Wu, Huanfeng Jiang and Shifa Zhu

Adv Synth Catal, 2016, 358, 2684
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Energetics and electronics of polar Diels–Alder reactions at the atomic level: QTAIM and IQA analyses of complete IRC paths

Lucas Freitas Feitosa, Renan Borsoi Campos and Wagner Eduardo Richter

Journal of Molecular Graphics and Modelling, 2023, 118, 108326
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Topological bonding fingerprints in photochemically substituted [2 + 2] cycloaddition

Cristian Guerra, Yeray A. Rodríguez-Núñez, Efraín Polo-Cuadrado and Adolfo Ensuncho

Journal of Photochemistry and Photobiology A: Chemistry, 2025, 459, 116038
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Contribution of Dispersion to the Intrinsic Energy Barriers of Neutral Model Diels-Alder Reactions

Hugo Alejandro Jiménez-Vázquez, Luis Almazán and Adriana Benavides

J. Mex. Chem. Soc., 2024, 68, 73
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5‐Alkenylthiazoles as In‐Out Dienes in Polar [4+2] Cycloaddition Reactions

Mateo Alajarin, Jose Cabrera, Pilar Sanchez‐Andrada, Delia Bautista and Aurelia Pastor

Eur J Org Chem, 2013, 2013, 7500
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Regioselective Functionalization and Diels–Alder Cycloadditions of Exocyclic Dienes in Five-membered Heterocycles

Gustavo A. Monroy-Flores, Pablo Montoya, Ailyn N. García-González, Carlos H. Escalante, R. Uri Gutiérrez, R. Israel Hernández-Benitez, Aydeé Fuentes-Benítes, Edson Barrera, Omar Gómez-García, Francisco Delgado and Joaquín Tamariz

J. Mex. Chem. Soc., 2025, 709
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A DFT study of [3 + 2] cycloaddition reactions of an azomethine imine with N-vinyl pyrrole and N-vinyl tetrahydroindole

Mar Ríos-Gutiérrez, Fouad Chafaa, Abdelmalek Khorief Nacereddine, Abdelhafid Djerourou and Luis R. Domingo

Journal of Molecular Graphics and Modelling, 2016, 70, 296
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A reexamination of the molecular mechanism of the Diels–Alder reaction between tetrafluoroethene and cyclopentadiene

Radomir Jasiński

Reac Kinet Mech Cat, 2016, 119, 49
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The Mysticism of Pericyclic Reactions: A Contemporary Rationalisation of Organic Reactivity Based on Electron Density Analysis

Luis R. Domingo, Mar Ríos‐Gutiérrez, Bernard Silvi and Patricia Pérez

Eur J Org Chem, 2018, 2018, 1107
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Normal electron demand Diels–Alder cycloaddition of indoles to 2,3-dimethyl-1,3-butadiene

M. Carmen de la Fuente and Domingo Domínguez

Tetrahedron, 2011, 67, 3997
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Understanding the mechanisms of [3+2] cycloaddition reactions. The pseudoradical versus the zwitterionic mechanism

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