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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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| 出版年: | Tetrahedron Lett |
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| 主要な著者: | , , |
| フォーマット: | Artigo |
| 言語: | Inglês |
| 出版事項: |
2015
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| 主題: | |
| オンライン･アクセス: | 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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