Reaction-Based Enumeration

• A Reaction Scheme + Reagents method which can accommodate 1–4 different reagents

  • Could handle more reagents if desired
  • Especially useful for libraries involving multiple scaffolds
  • Multiple steps can be enumerated individually or all at once

• Requires

  • Reaction scheme (RXN file or drawn in MDL ISIS/Draw)
  • Previously defined reaction schemes available as a pick list
  • For each reagent
    • SD File containing the reagents

Notes: