ArticleChemical science2022
A broadly applicable quantitative relative reactivity model for nucleophilic aromatic substitution (S
Article in Chemical science, 2022. 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.
- Competition-Derived Relative Reactivity and 3D Electronic-State Analysis of Site- and Facial Selectivity in NaBHJACS Au · 2026Article
- Computational Thermodynamic and Kinetic Analysis of Meisenheimer Intermediate Formation in Aromatic Nucleophilic Addition.Molecules (Basel, Switzerland) · 2026Article
- Merging Micellar Catalysis and C-H Activation: Silver-Free Direct Arylation of Fluoroarenes in Water.ChemSusChem · 2026Article
- Molecular Rotors as Reactivity Probes: Predicting Electrophilicity from the Speed of Rotation.Angewandte Chemie (International ed. in English) · 2025Article
- A database of steric and electronic properties of heteroaryl substituents.Scientific data · 2025Article
- A Predictive Model for Thiol Reactivity ofJournal of medicinal chemistry · 2025Article
- A mechanistic continuum of nucleophilic aromatic substitution reactions with azole nucleophiles.Chemical science · 2025Article
- Unraveling the influence mechanisms of different substituents on the chemical activity of N-heterocyclic phosphines via theoretical calculations.Journal of molecular modeling · 2025Article
- Computational tools for the prediction of site- and regioselectivity of organic reactions.Chemical science · 2025Review
- Synthesis and Rearrangement of New 1,3-Diamino-2,7-naphthyridines and 1-Amino-3-oxo-2,7-naphthyridines.International journal of molecular sciences · 2024Article
- Halogenated Phenylpyridines Possessing Chemo-Selectivity for Diverse Molecular Architectures.ACS omega · 2024Article
- Direct C-H Hydroxylation ofJournal of the American Chemical Society · 2024Article
- Dataset Design for Building Models of Chemical Reactivity.ACS central science · 2023Review
- Rapid planning and analysis of high-throughput experiment arrays for reaction discovery.Nature communications · 2023Article
- Predictive chemistry: machine learning for reaction deployment, reaction development, and reaction discovery.Chemical science · 2023Review
- Insights into structural, spectroscopic, and hydrogen bonding interaction patterns of nicotinamide-oxalic acid (form I) salt by using experimental and theoretical approaches.Frontiers in chemistry · 2023Article
Corrections and comments
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Authors and funding
3 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
We report a multivariate linear regression model able to make accurate predictions for the relative rate and regioselectivity of nucleophilic aromatic substitution (S
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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.