ICIC 2013 New Product Introductions Wiley

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ICIC 2013 New Product Introductions Wiley

  1. 1. Do more chemistry. Presenting The Chemistry Toolkit from Wiley Science Solutions.
  2. 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. 3. RxnFinder: user interface and content ChemInform Reaction Library (CIRX) • 1.7 million reactions • Data from 1990 to present • 100 Journals wileysciencesolutions.com
  4. 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. 5. Reaction search The geiparvarin structure is uploaded wileysciencesolutions.com The pharmacophore is selected using the structure editor
  6. 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. 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. 8. The reaction scheme includes a comprehensive overview of the chemistry in the article and is a unique feature of RxnFinder wileysciencesolutions.com
  9. 9. Reaction schemes No OH protection required if the R substituents are aliphatic wileysciencesolutions.com Protection required if the R substituents are aromatic
  10. 10. Retro-synthesis Retro-synthesis tools provide information how to synthesize the starting material wileysciencesolutions.com
  11. 11. The Smart Article wileysciencesolutions.com
  12. 12. Link to Smart Article Open article I want to get more information about this hydroquinoline derivative wileysciencesolutions.com
  13. 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
  14. 14. wileysciencesolutions.com
  15. 15. wileysciencesolutions.com
  16. 16. Analytics RxnFinder Current Protocols Explore Smart Article Experiment Spectral Libraries wileysciencesolutions.com Synthesize Verify Results
  17. 17. The researcher synthesized the hydroquinoline derivative Was my synthesis succesful? wileysciencesolutions.com ?
  18. 18. Experimental spectrum CNMR wileysciencesolutions.com
  19. 19. The Chemistry Toolkit - Spectra NMR signals are assigned to the corresponding atoms in the structure wileysciencesolutions.com
  20. 20. Do more chemistry. wileysciencesolutions.com

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