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Effect of an α‐Methyl Substituent on the Dienophile on Diels‐Alder endo:exo Selectivity
A detailed computational study of the Diels‐Alder reaction of cyclopentadiene with acrylonitrile, methylacrylate and their α‐methylated counterparts methacrylonitrile and methyl methacrylate at the M06‐2X(PCM)/TZVP level of theory has been performed. We want to understand the excellent exo‐selectivi...
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| Published in: | ChemistryOpen |
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| Main Authors: | , |
| Format: | Artigo |
| Language: | Inglês |
| Published: |
John Wiley and Sons Inc.
2019
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6333242/ https://ncbi.nlm.nih.gov/pubmed/30652065 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/open.201800237 |
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