Reactions Databases Organics Synthesis

While the major printed abstracting services for and handbooks of compounds (structures) (e.g., CA, Beilstein, and Gmelin) are available as databases in their entirety or for major parts (e.g., 13.2 million of the 16.9 million articles abstracted by CAS from 1907 to 1996), this is not true for all printed sources for reactions. While Organic Synthesis... 

We are mainly concerned with the development of EROS (Elaboration of Reactions for rganic Synthesis), a program system for the prediction of chemical reactions and the design of organic syntheses (Jj- 3). This system does not rely on a database of known reactions. Instead, reactions are generated in a formal manner by breaking and... 

Makes chemical structure drawings from ChemDraw and ISIS/Draw understandable to Microsoft Excel spreadsheets. Library of QSAR parameters for 250 substituents. Protecting Groups and Methods in Organic Synthesis (MOS) reaction databases. PCs. 

This work is available on-line as eEROS. The Encyclopedia of Reagents for Organic Synthesis, e-EROS, provides updated information on 3800 reagents with a database of close to 50,000 reactions. Each reagent entry includes properties such as physical data, solubility, form supplied in, purification, and preparative methods examples of use in reactions and literature references. Search options include name, CAS number, structure and reaction. 

One problem associated with soHd-phase organic synthesis is the ill-defined nature of a polymer bead from the perspective of reaction databases. As a result, most databases do not contain any of this chemistry. The only dedicated database is the SPORE database (Solid-Phase Organic Reactions), maintained by the FIZ Institute (Berlin, Germany) and commercialized by MDL Information Systems on their Reaction Browser or DiscoveryGate platforms. 

This database, built at the RhAne-Poulenc Rorer Company, France, consists of published material only. It is the collection of organic reactions where Palladium, the most versatile catalyst in modem organic synthesis, is used as a catalyst. 

Named Organic Reaction Database Cyclic ether synthesis... 

Reaction pathway synthesis delivers the basis for a chemical process. The methods employed vary from databases to heuristic and inductive techniques. Almost all researchers focus on the production of organic compounds. The paper by Mavrovounitis gives a good overview on this research area called Computer Aided Organic Synthesis. ... 

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