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Computational predictions of substituted benzyne and indolyne regioselectivities
A computational study using DFT methods was performed for an array of mono and disubstituted benzynes and indolynes. The inherent distortion present in the geometry-optimized structures predicts the regioselectivity of aryne trapping by nucleophiles or cycloaddition partners. These studies will serv...
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| Publicado no: | Tetrahedron Lett |
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| Main Authors: | , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4448725/ https://ncbi.nlm.nih.gov/pubmed/26034336 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.tetlet.2015.01.022 |
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