Computer-guided total synthesis of natural products. Recent examples and Future perspectives

Quantum chemical calculations of nuclear magnetic resonance (NMR) shifts and coupling constants have been extensively employed in recent years mainly to facilitate structural elucidation of organic molecules. When the results of such calculations are used to determine the most likely structure of...

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Autores principales: Della-Felice, Franco, Pilli, Ronaldo A., Sarotti, Ariel Marcelo
Formato: article artículo publishedVersion
Lenguaje:Inglés
Publicado: Sociedade Brasileira de Química 2020
Materias:
Total Synthesis
Biological Products
Computational Chemistry
NMR Calculations
GIAO NMR Calculations
Acceso en línea:http://hdl.handle.net/2133/19503
http://hdl.handle.net/2133/19503
Aporte de:
Repositorio Hipermedial de la Universidad Nacional de Rosario (UNR) de Universidad Nacional de Rosario
id I15-R121-2133-19503
record_format dspace
institution Universidad Nacional de Rosario
institution_str I-15
repository_str R-121
collection Repositorio Hipermedial de la Universidad Nacional de Rosario (UNR)
language Inglés
orig_language_str_mv eng
topic Total Synthesis
Biological Products
Computational Chemistry
NMR Calculations
GIAO NMR Calculations
spellingShingle Total Synthesis
Biological Products
Computational Chemistry
NMR Calculations
GIAO NMR Calculations
Della-Felice, Franco
Pilli, Ronaldo A.
Sarotti, Ariel Marcelo
Computer-guided total synthesis of natural products. Recent examples and Future perspectives
topic_facet Total Synthesis
Biological Products
Computational Chemistry
NMR Calculations
GIAO NMR Calculations
description Quantum chemical calculations of nuclear magnetic resonance (NMR) shifts and coupling constants have been extensively employed in recent years mainly to facilitate structural elucidation of organic molecules. When the results of such calculations are used to determine the most likely structure of a natural product in advance, guiding the subsequent synthetic work, the term “computer-guided synthesis” could be coined. This review article describes the most relevant examples from recent literature, highlighting the scope and limitations of this merged computational/experimental approach as well.
format article
artículo
publishedVersion
author Della-Felice, Franco
Pilli, Ronaldo A.
Sarotti, Ariel Marcelo
author_facet Della-Felice, Franco
Pilli, Ronaldo A.
Sarotti, Ariel Marcelo
author_sort Della-Felice, Franco
title Computer-guided total synthesis of natural products. Recent examples and Future perspectives
title_short Computer-guided total synthesis of natural products. Recent examples and Future perspectives
title_full Computer-guided total synthesis of natural products. Recent examples and Future perspectives
title_fullStr Computer-guided total synthesis of natural products. Recent examples and Future perspectives
title_full_unstemmed Computer-guided total synthesis of natural products. Recent examples and Future perspectives
title_sort computer-guided total synthesis of natural products. recent examples and future perspectives
publisher Sociedade Brasileira de Química
publishDate 2020
url http://hdl.handle.net/2133/19503
http://hdl.handle.net/2133/19503
work_keys_str_mv AT dellafelicefranco computerguidedtotalsynthesisofnaturalproductsrecentexamplesandfutureperspectives
AT pillironaldoa computerguidedtotalsynthesisofnaturalproductsrecentexamplesandfutureperspectives
AT sarottiarielmarcelo computerguidedtotalsynthesisofnaturalproductsrecentexamplesandfutureperspectives
bdutipo_str Repositorios
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