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Volumn 65, Issue 18, 2000, Pages 5760-5767

Type-two intramolecular Diels-Alder reactions of pyrazolo-o-quinodimethanes

Author keywords

[No Author keywords available]

Indexed keywords

PYRAZOLE DERIVATIVE; QUINONE DERIVATIVE;

EID: 0033828530     PISSN: 00223263     EISSN: None     Source Type: Journal    
DOI: 10.1021/jo9917285     Document Type: Article
Times cited : (7)

References (34)
  • 14
    • 0033613780 scopus 로고    scopus 로고
    • The preliminary results of this approach have been published as a communication, see: Chou, T. S.; Chen. H. C. Tetrahedron Lett. 1999, 40, 961.
    • (1999) Tetrahedron Lett. , vol.40 , pp. 961
    • Chou, T.S.1    Chen, H.C.2
  • 29
    • 0343208986 scopus 로고    scopus 로고
    • note
    • X-ray crystal structures of 20b and 21c were used as starting geometry for the MCMM search, whereas all the others were built using the structure-building module implemented in MacroModel. The structures were fully optimized using the PR conjugated gradient method followed by the full matrix Newton-Raphson method prior to the MCMM search. The search was performed by random variation of selected torsions at each Monte Carlo step. A total of 1500 structures was sampled for each compound, and unique conformations within 3 kcal/mol of the global minimum were used for optimization with MM3-(94).
  • 33
    • 0342339375 scopus 로고
    • University of Georgia: Athens, GA
    • Allinger, N. L. MM3(94); University of Georgia: Athens, GA, 1994.
    • (1994) MM3(94)
    • Allinger, N.L.1
  • 34
    • 0343208984 scopus 로고    scopus 로고
    • note
    • The authors have deposited atomic coordinates for this structure with the Cambridge Crystallographic Data Centre. The coordinates can be obtained, on request, from the Director, Cambridge Crystallographic Data Centre, 12 Union Road, Cambridge, CB2 1EZ, UK.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.