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A mechanistic study of the rhodium-catalyzed cyclization of 4-hexenals. Reactions of deuterio-4-hexenals

✍ Scribed by Campbell, Richard E.; Lochow, Charles F.; Vora, Krishnakant P.; Miller, Roy G.

Book ID: 127105807
Publisher: American Chemical Society
Year: 1980
Tongue: English
Weight: 949 KB
Volume: 102
Category: Article
ISSN: 0002-7863
DOI: 10.1021/ja00538a021

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## Abstract The reaction mechanism of the Rh‐catalyzed [4 + 2] annulation of 4‐alkynals with isocyanates is unraveled using density functional calculations. The reaction mechanisms of the model system and the real substituted system have been investigated and the results are compared. From our theo