ArticleTetrahedron letters2015
Computational predictions of substituted benzyne and indolyne regioselectivities.
Article in Tetrahedron letters, 2015. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 16 papers.
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Who cites it
16 citing papers in PubMed.
- Reaction of Blatter and Verdazyl Radicals with Arynes: Synthesis and Investigation of N-Chiral, Antiaromatic Triazines, and Tetrazinones.Angewandte Chemie (International ed. in English) · 2026Article
- Geometric distortion as an enabling tool for organic synthesis.Nature synthesis · 2025Article
- Investigations via Kinetics and Multivariate Linear Regression Models of the Mechanism and Origins of Regioselectivity in a Palladium-Catalyzed Aryne Annulation.ACS catalysis · 2024Article
- Derivatization of 2,1,3-Benzothiadiazole via Regioselective C-H Functionalization and Aryne Reactivity.The Journal of organic chemistry · 2024Article
- Ligand-Controlled Regioinduction in a PHOX-Ni Aryne Complex.ACS organic & inorganic Au · 2024Article
- Exploring a Substitution Strategy to Ethylene Oxide for COACS omega · 2023Article
- Ligand-Induced Regioselectivity in Metal-Catalyzed Aryne Reactions Using Borylaryl Triflates as Aryne Precursors.Organometallics · 2023Article
- The Aryne Phosphate Reaction.Angewandte Chemie (International ed. in English) · 2022Article
- One-step synthesis of benzo[Chemical science · 2020Article
- Uncovering the Neglected Similarities of Arynes and Donor-Acceptor Cyclopropanes.Angewandte Chemie (International ed. in English) · 2020Review
- Synthesis of Uracil-Iodonium(III) Salts for Practical Utilization as Nucleobase Synthetic Modules.Molecules (Basel, Switzerland) · 2019Article
- Arynes and Cyclic Alkynes as Synthetic Building Blocks for Stereodefined Quaternary Centers.Journal of the American Chemical Society · 2018Article
- Predictive and mechanistic multivariate linear regression models for reaction development.Chemical science · 2018Review
- Expanding the ROMP Toolbox: Synthesis of Air-Stable Benzonorbornadiene Polymers by Aryne Chemistry.Macromolecules · 2017Article
- Article
- Expanding the Strained Alkyne Toolbox: Generation and Utility of Oxygen-Containing Strained Alkynes.Journal of the American Chemical Society · 2016Article
Corrections and comments
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Authors and funding
3 authors.
Funding
Abstract
A computational study using DFT methods was performed for an array of mono and disubstituted benzynes and indolynes. The inherent distortion present in the geometry-optimized structures predicts the regioselectivity of aryne trapping by nucleophiles or cycloaddition partners. These studies will serve to enable the further use of unsymmetrical arynes in organic synthesis.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.