Find reactions for potential anticancer drug geiparvarin using RxnFinder
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Find reactions for potential anticancer drug geiparvarin using RxnFinder
- 1. Do more chemistry. Presenting The Chemistry Toolkit from Wiley Science Solutions.
- 2. The Chemistry Toolkit RxnFinder Reaction searching to find chemistry that works Current Protocols Plan experiments using verified protocols Spectral Libraries Conclusively identify compounds wileysciencesolutions.com
- 3. RxnFinder: user interface and content ChemInform Reaction Library (CIRX) • 1.7 million reactions • Data from 1990 to present • 100 Journals wileysciencesolutions.com
- 4. RxnFinder Use case: Geiparvarin Geiparvarin is a natural product found in the leaves of the Australian Willow and known as a potential anticancer drug. A pharma researcher identifies the 5-membered ring as a potential pharmacophore and wants to find products including this ring and how these products can be synthesized. wileysciencesolutions.com
- 5. Reaction search The geiparvarin structure is uploaded wileysciencesolutions.com The pharmacophore is selected using the structure editor
- 6. Reaction search The arrow on the left of the structure indicates that a search for products will take place Reaction Substructure Search has been chosen To restrict the results, only recent articles are selected wileysciencesolutions.com Submit query
- 7. Restrictions The Cluster Analysis provides another tool to refine hit lists. 56 hits result. The query is highlighted The researcher may be interested in a certain reagent and selects it Reactions are classified with InfoChem‘s CLASSIFY wileysciencesolutions.com
- 8. The reaction scheme includes a comprehensive overview of the chemistry in the article and is a unique feature of RxnFinder wileysciencesolutions.com
- 9. Reaction schemes No OH protection required if the R substituents are aliphatic wileysciencesolutions.com Protection required if the R substituents are aromatic
- 10. Retro-synthesis Retro-synthesis tools provide information how to synthesize the starting material wileysciencesolutions.com
- 12. Link to Smart Article Open article I want to get more information about this hydroquinoline derivative wileysciencesolutions.com
- 13. All instances of the selected compound are indicated in the text Search in Wiley Online Library wileysciencesolutions.com The compound of interest is highlighted in the compound browser
- 16. Analytics RxnFinder Current Protocols Explore Smart Article Experiment Spectral Libraries wileysciencesolutions.com Synthesize Verify Results
- 17. The researcher synthesized the hydroquinoline derivative Was my synthesis succesful? wileysciencesolutions.com ?
- 19. The Chemistry Toolkit - Spectra NMR signals are assigned to the corresponding atoms in the structure wileysciencesolutions.com