نتایج جستجو برای: structure elucidation
تعداد نتایج: 1578347 فیلتر نتایج به سال:
Computer Assisted Structure Elucidation has been used for decades to discover the chemical structure of unknown compounds. In this work we introduce the first open source structure generator, Open Molecule Generator (OMG), which for a given elemental composition produces all non-isomorphic chemical structures that match that elemental composition. Furthermore, this structure generator can accep...
Principles o f the automated structure elucidation system for organic compounds (CHEMICS) and i t s applications t o natural product chemistry are described. I t i s made clear t h a t CHEMICS i s a t the practical level in structure elucidation of natural products through the introduction of 2D-NMR data processing and specific partial structure elucidation functions t o the system. The CHEMICS...
Selective transformation of 2-propargylthio-6-methyl-pyrimidin-4(1H)On e (2) to 3,5-dimethyl-7H-thiazolo [3,2-a] pyrimidin-7-one (3) is performed under the conditionof base catalysis . For elucidation of structure, palladium catalyzed cyclization reaction of (2) was carried out and the structures of the products were assigned (5) and (6). These compounds underwent isomerization to (3) and (4...
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