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Digitization of multistep organic synthesis in reactionware for on-demand pharmaceuticals.

Philip J KitsonGuillaume MarieJean-Patrick FrancoiaSergey S ZalesskiyRalph C SigersonJennifer S MathiesonLeroy Cronin
Published in: Science (New York, N.Y.) (2018)
Chemical manufacturing is often done at large facilities that require a sizable capital investment and then produce key compounds for a finite period. We present an approach to the manufacturing of fine chemicals and pharmaceuticals in a self-contained plastic reactionware device. The device was designed and constructed by using a chemical to computer-automated design (ChemCAD) approach that enables the translation of traditional bench-scale synthesis into a platform-independent digital code. This in turn guides production of a three-dimensional printed device that encloses the entire synthetic route internally via simple operations. We demonstrate the approach for the γ-aminobutyric acid receptor agonist, (±)-baclofen, establishing a concept that paves the way for the local manufacture of drugs outside of specialist facilities.
Keyphrases
  • deep learning
  • high throughput
  • palliative care
  • wastewater treatment
  • living cells
  • drug induced
  • quantum dots
  • water soluble