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ChemInform Abstract: A Theoretical Study of Stereochemistry in Thermal 1,3-Silyl Migrations

✍ Scribed by Masae Takahashi; Mitsuo Kira

Publisher
John Wiley and Sons
Year
2010
Weight
24 KB
Volume
32
Category
Article
ISSN
0931-7597

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## Abstract Possible reaction mechanisms of 1,3‐silyl and 1,3‐hydrogen thermal rearrangements of trimethylsilyl‐1‐pyrazoline and its model systems were theoretically explored using B3LYP, MP2, CR‐CCSD(T), CASSCF(6,5), and MRMP2(6,5) theories. Nitrogen substitution at the center position of allylic