Computational Methods to Predict the Regioselectivity of Electrophilic Aromatic Substitution Reactions of Heteroaromatic Systems-Reference-Cited by-同舟云学术

Computational Methods to Predict the Regioselectivity of Electrophilic Aromatic Substitution Reactions of Heteroaromatic Systems

Published:2016-05-31 Issue:12 Volume:81 Page:5128-5134
ISSN:0022-3263
Container-title:The Journal of Organic Chemistry
language:en
Short-container-title:J. Org. Chem.

Author:

Kruszyk Monika¹²,Jessing Mikkel¹,Kristensen Jesper Langgaard²,Jørgensen Morten¹

Affiliation:

1. Discovery Chemistry and DMPK, Neuroscience Drug Discovery, H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark

2. Department of Drug Design and Pharmacology, Faculty of Health and Medical Science, University of Copenhagen, Universitetsparken 2, 2100 Copenhagen Ø, Denmark

Funder

H. Lundbeck A/S

Publisher

American Chemical Society (ACS)

Subject

Organic Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.joc.6b00584

Reference83 articles.

1. A Molecular Orbital Theory of Reactivity in Aromatic Hydrocarbons

2. Absolute hardness: companion parameter to absolute electronegativity

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