Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight-Reference-Cited by-同舟云学术

Structural flexibility of favipiravir and its structural analogues in solutions: experimental and computational insight

Published:2024 Issue:18 Volume:22 Page:3668-3683
ISSN:1477-0520
Container-title:Organic & Biomolecular Chemistry
language:en
Short-container-title:Org. Biomol. Chem.

Author:

Gerasimova Tatiana P.¹^ORCID,Zagidullin Almaz A.¹^ORCID,Nikolaeva Anastasiia N.¹,Fayzullin Robert R.¹^ORCID,Saitova Aliya M.¹,Miluykov Vasili A.¹^ORCID,Grimme Stefan²^ORCID,Katsyuba Sergey A.¹^ORCID

Affiliation:

1. Arbuzov Institute of Organic and Physical Chemistry, FRC Kazan Scientific Centre of RAS, Arbuzov St. 8, 420088 Kazan, Russia

2. Mulliken Center for Theoretical Chemistry, Institut für Physikalische und Theoretische Chemie der Universität Bonn, Beringstr. 4, 53115 Bonn, Germany

Abstract

Keto-enol transformations of 6-R-3-hydroxy-2-pyrazinecarboxamides in solutions are accompanied by deprotonation of enol tautomers and the formation of corresponding anionic species. The key factors determining these processes have been identified.

Funder

Russian Academy of Sciences

Deutscher Akademischer Austauschdienst

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/OB/D4OB00404C

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