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Theoretical and Computational Chemistry

Working Paper

Fast and Accurate Prediction of the Regioselectivity of Electrophilic Aromatic Substitution Reactions

Jimmy Kromann, Jan H. Jensen, Monika Kruszyk, Mikkel Jessing, Morten Jørgensen

Version 1 posted 27 September 2017

565

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Organic Chemistry

Working Paper

Substrate Specific Closed-loop Optimization of Carbohydrate Protective Group Chemistry Using Bayesian Optimization and Transfer Learning

Natasha Videcrantz Faurschou, Rolf Hejle Taaning, Christian Marcus Pedersen

Version 1 posted 23 February 2023

250

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Theoretical and Computational Chemistry

Working Paper

Origin of Catalysis and Regioselectivity of Lewis Acid-Catalyzed Diels-Alder Reactions with Tropone

Eveline Tiekink, Pascal Vermeeren, Trevor A. Hamlin

Version 1 posted 09 March 2023

200

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Organic Chemistry

Working Paper

Facile Generation of Fused Seven-Membered Polycyclic Systems via Ring Expansion and Application to the Total Synthesis of Sesquiterpenoids

Zhimin Xing, Bowen Fang, Shangwen Luo, Xingang Xie, Xiaolei wang

Version 1 posted 18 April 2022

488

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1

Citations

Organic Chemistry

Working Paper

Tales of the Unexpected: Selectivity of Nucleophilic Additions to Zigzag Nanographene Diones

Peter Ribar, Leos Valenta, Tomas Solomek, Michal Juricek

Version 1 posted 09 December 2020

575

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Materials Science

Working Paper

Сan Plasmon Change Reaction Path? An Unprecedented Regioselective Decomposition of Unsymmetrical Iodonium Salts

Elena Miliutina, Olga Guselnikova, Natalia Soldatova, Polina Bainova, Roman Elashnikov, Přemysl Fitl, Theo Kurten, Mekhman Yusubov, Václav Švorčík, Rashid R. Valiev, Mohamed Chehimi, Oleksiy Lyutakov, Pavel Postnikov

Version 1 posted 13 April 2020

586

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Organic Chemistry

Working Paper

Mechanistic Studies of Pd-Catalyzed Fluorination of Cyclic Vinyl Triflates: Evidence for in situ Ligand Modification

Yuxuan Ye, Seoung-Tae Kim, Ryan P. King, Mu-Hyun Baik, Stephen L. Buchwald

Version 1 posted 03 February 2021

648

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Organic Chemistry

Working Paper

A Predictive Model for Additions to N-Alkyl Pyridiniums

Brian Knight, Zachary Tolchin, Joel Smith

Version 1 posted 23 October 2020

1,774

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Organic Chemistry

Working Paper

Enantioselective Hydroalkylation of α,β-Unsaturated Amides through Reversed syn-Hydrometallation of NiH

Fang Zhou, Shaolin Zhu

Version 1 posted 02 February 2021

668

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3

Citations

Catalysis

Working Paper

(CAAC)Copper Catalysis Enables Regioselective Three-Component Carboboration of Terminal Alkynes

Yang Gao, Nana Kim, Sima Yazdani, Mingyu Liu, Aaron Kendrick, Douglas Grotjahn, Guy Bertrand, Rodolphe Jazzar, Keary Engle

Version 1 posted 01 February 2022

950

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33 results in regioselectivity in Keywords: regioselectivity

Fast and Accurate Prediction of the Regioselectivity of Electrophilic Aromatic Substitution Reactions

Substrate Specific Closed-loop Optimization of Carbohydrate Protective Group Chemistry Using Bayesian Optimization and Transfer Learning

Origin of Catalysis and Regioselectivity of Lewis Acid-Catalyzed Diels-Alder Reactions with Tropone

Facile Generation of Fused Seven-Membered Polycyclic Systems via Ring Expansion and Application to the Total Synthesis of Sesquiterpenoids

Tales of the Unexpected: Selectivity of Nucleophilic Additions to Zigzag Nanographene Diones

Сan Plasmon Change Reaction Path? An Unprecedented Regioselective Decomposition of Unsymmetrical Iodonium Salts

Mechanistic Studies of Pd-Catalyzed Fluorination of Cyclic Vinyl Triflates: Evidence for in situ Ligand Modification

A Predictive Model for Additions to N-Alkyl Pyridiniums

Enantioselective Hydroalkylation of α,β-Unsaturated Amides through Reversed syn-Hydrometallation of NiH

(CAAC)Copper Catalysis Enables Regioselective Three-Component Carboboration of Terminal Alkynes

33 results in Keywords: regioselectivity