QSRR prediction of Enantioselectivity Complex Networks related to the addition of organolithium reagents to imines in presence of chiral ligands

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2009_ecsoc13_arrasate_qsrr.pdf (73.27 KB)
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URI: http://hdl.handle.net/10347/26858
ISBN: 3-906980-23-5
DOI: 10.3390/ecsoc-13-00239

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2009

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MDPI
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Abstract

There are many enantioselective reactions of organolithium to imines described in a very different conditions. In this work, we constructed from experimental outcomes large Complex Network, which may be used to perform datamining and quantitatively describe changes in reaction variables that determine the enantiomeric excess and configuration of the stereogenic centre formed in product

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The 13th International Electronic Conference on Synthetic Organic Chemistry session Computational Chemistry

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Organolithium compounds| Imines| Chiral ligands| Multiple Linear Regression| QSRR| Complex Network| Molecular descriptor| Markov Model

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González-Díaz, H.; Uriarte, E.; Lete, E.; Sotomayor, N.; Arrasate, S. QSRR prediction of Enantioselectivity Complex Networks related to the addition of organolithium reagents to imines in presence of chiral ligands, in Proceedings of the 13th International Electronic Conference on Synthetic Organic Chemistry, 1–30 November 2009, MDPI: Basel, Switzerland, doi:10.3390/ecsoc-13-00239

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© 2009 The author(s). Published by MDPI, Basel, Switzerland. Open Access

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Química Orgánica
Microbioloxía e Parasitoloxía