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41.
Eric E. Boros James B. Thompson Edgar R. Wood O. Bradley McDonald Timothy D. Spitzer Andrea M. Sefler Bryan R. Reep 《Journal of heterocyclic chemistry》2004,41(3):355-358
5‐Methoxy and 5‐anilinopyrido[2,3‐d]pyrimidin‐7(8H)‐ones 2a‐2f were obtained by a tandem Michael addition‐cyclization reaction of methanol and anilines with pyrimidinylpropynoate 5. Methoxy derivative 2a was obtained in 62% yield by treatment of 5 with methanol and potassium carbonate. Anilino derivatives 2b‐2f were prepared in 31–71% yields by reacting 5 with the corresponding anilines in refluxing methanol. This methodology accomplishes Michael‐addition and pyridopyrimidinone ring formation in one‐pot and affords the desired products in reasonable yield without chromatography. Propynoate 5 did not react with 4‐cyanoaniline under these conditions. Reaction of 5 with 2‐aminopyridine gave the unexpected arylpyrido[2,3‐d]pyrimidinone 8 in 58% yield and reaction of 5 with imidazole afforded Michael‐adduct 9 in 69% yield. Compounds 2a and 5 were submicromolar inhibitors of epidermal growth factor receptor (EGFR) tyrosine kinase. 相似文献
42.
Hert J Willett P Wilton DJ Acklin P Azzaoui K Jacoby E Schuffenhauer A 《Journal of chemical information and computer sciences》2004,44(3):1177-1185
Fingerprint-based similarity searching is widely used for virtual screening when only a single bioactive reference structure is available. This paper reviews three distinct ways of carrying out such searches when multiple bioactive reference structures are available: merging the individual fingerprints into a single combined fingerprint; applying data fusion to the similarity rankings resulting from individual similarity searches; and approximations to substructural analysis. Extended searches on the MDL Drug Data Report database suggest that fusing similarity scores is the most effective general approach, with the best individual results coming from the binary kernel discrimination technique. 相似文献
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Chlorocarbenium salts
-
of the Vilsmeier-Arnold type react with the silylated isocyanuric acid
to give 1-oxa-3-azabutatrienium salts
under mild conditions. From reactions of diarylchloromethenium salts
-
with
and ketones or tertiary carboxamides high yields of 2-azaallenium salts
were obtained. A few chloro substituted 2-azaallenium salts
were prepared from
and carbonyl compounds. The mechanisms of the new reactions are discussed. 相似文献
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Internal residual stresses arise in glass-ceramics upon cooling down from the crystallization temperature. These stresses are due to the thermal expansion and the elastic mismatch between the crystalline and glassy phases. Therefore, the mechanical properties of glass-ceramics are likely to depend not only on their composition and microstructure but also on the type (tension or compression) and magnitude of these residual stresses. In this work, we critically review the most commonly used theoretical models concerning residual stresses in glass-ceramics and glass-matrix composites, taking into consideration the effects of crystallized volume fraction, crystal shape and thermal expansion anisotropy. We also discuss most of the reported measurements of residual stresses in these dual-phase materials using different techniques, such as X-ray diffraction, nuclear magnetic resonance, Raman and fluorescence spectroscopy, and indentation. The available models and experimental results regarding spontaneous microcracking due to residual stresses are also discussed. Finally, guidelines for future work are suggested. 相似文献
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