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Origins of stereoselectivity in the trans Diels-Alder paradigm.

Abstract:

The regioselectivity and stereoselectivity aspects of the Diels-Alder/radical hydrodenitration reaction sequence leading to trans-fused ring systems have been investigated with density functional calculations. A continuum of transition structures representing Diels-Alder and hetero-Diels-Alder cycloadditions as well as a sigmatropic rearrangement have been located, and they all lie very close in energy on the potential energy surface. All three pathways are found to be important in the format...

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Publication status:
Published

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Publisher copy:
10.1021/ja1009162

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Journal:
Journal of the American Chemical Society
Volume:
132
Issue:
27
Pages:
9335-9340
Publication date:
2010-07-05
DOI:
EISSN:
1520-5126
ISSN:
0002-7863
URN:
uuid:5bcb3f6f-73cb-40e1-bdaa-bc2c9c819086
Source identifiers:
117662
Local pid:
pubs:117662

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