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Diels−Alder Reactions of 2-Azabutadienes with Aldehydes: Ab Initio and Density Functional Theoretical Study of the Reaction Mechanism, Regioselectivity, Acid Catalysis, and Stereoselectivity †

✍ Scribed by Venturini, Alessandro; Joglar, Jesús; Fustero, Santos; González, Javier


Book ID
120835370
Publisher
American Chemical Society
Year
1997
Tongue
English
Weight
174 KB
Volume
62
Category
Article
ISSN
0022-3263

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Ab initio calcdations at the MP2/6-31G\*//HF/3-21G\* level have been carried out to study Eels-Alder reactions of 2-substituted-1,3-dienes with s u l h dioxide. The CH ... 0 electrostatic interaction detected in some of the transition structures located could be decisive in the control of the exo/en