Art

J-GLOBAL ID：200902185697239407   Reference number：00A0496203

Studies on the 1,4-Oxazepine Ring Formation Reaction Using the Molecular Orbital Method.

分子軌道法を用いた1,4-オキサゼピン環生成反応の研究

Author (4)： MATSUZAKI H (Tohoku Pharmaceutical Univ., Sendai, JPN) ,  TAKEUCHI I (Meijo Univ., Nagoya, JPN) ,  HAMADA Y (Meijo Univ., Nagoya, JPN) ,  HATANO K (Nagoya City Univ., Nagoya, JPN)
Material： Chemical and Pharmaceutical Bulletin  (Chemical & Pharmaceutical Bulletin)
Volume： 48  Issue： 5  Page： 755-756  Publication year： May. 01, 2000 
JST Material Number： G0504A  ISSN： 0009-2363  CODEN： CPBTAL  Document type： Article
Article type： 短報  Country of issue： Japan (JPN)  Language： ENGLISH (EN)

Thesaurus term： nitrogen heterocyclic compound ,...
Semi thesaurus term： Gaussian

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JST classification (2)： Seven-membered heterocyclic compounds  (CF07110I) ,  Electronic structure of molecules  (BH05010Q)

Substance index (7)： 7,8-Diazabenz[a]anthracene ,  11,12-Diazabenz[a]anthracene ,  Benzo[b][1,8]naphthyridine ,  1,12-Diazanaphthacene ,  7,12-Dihydro-13-oxa-7,8-diaza-13H-benzo[4,5]cyclohepta[1,2-a]naphthalen-12-ol acetate ,  7,12-Dihydro-13-oxa-7,8-diaza-13H-benzo[4,5]cyclohepta[1,2-a]naphthalen-12-ol 3-chlorobenzoate ,  12-(3-Chlorobenzoyloxy)-13-oxa-4,5-diaza-5,12-dihydro-13H-benzo[4,5]cyclohepta[1,2-b]naphthalene 4-oxide

Reference (10)：

• 1) Takeuchi I., Asai K., Hamada Y., Masuda K., Suezawa H., Hirota M., Kurono Y., Hatano H., Heterocycles, 43, 2139-2152 (1996).
• 2) Takeuchi I., Naga N., Kariyama T., Hamada Y., Matsuzaki H., Heterocycles, 48, 2125-2132 (1998).
• 3) Stewart J.J.P., J. Comput. Chem., 10, 209-220 (1989).
• Stewart J.J.P., J. Comput. Chem., 10, 221-264 (1989).
• 4) MOPAC 93 release 2, Stewart J.J.P., Fujitsu Limited, Tokyo, Japan, 1994.

Terms in the title (2)： 分子軌道法 ,  研究