Digitizing Chemical Synthesis in 3D Printed Reactionware

Andrius Bubliauskas, Daniel J. Blair, Henry Powell-Davies, Philip J. Kitson, Martin D. Burke, Leroy Cronin

Research output: Contribution to journalArticlepeer-review


Chemistry digitization requires an unambiguous link between experiments and the code used to generate the experimental conditions and outcomes, yet this process is not standardized, limiting the portability of any chemical code. What is needed is a universal approach to aid this process using a well-defined standard that is composed of syntheses that are employed in modular hardware. Herein we present a new approach to the digitization of organic synthesis that combines process chemistry principles with 3D printed reactionware. This approach outlines the process for transforming unit operations into digitized hardware and well-defined instructions that ensure effective synthesis. To demonstrate this, we outline the process for digitizing 3 MIDA boronate building blocks, an ester hydrolysis, a Wittig olefination, a Suzuki–Miyaura coupling reaction, and synthesis of the drug sulfanilamide.

Original languageEnglish (US)
Article numbere202116108
JournalAngewandte Chemie - International Edition
Issue number24
StatePublished - Jun 13 2022


  • 3D Printing
  • Chemical Education
  • C−C Coupling
  • Reactionware
  • Unit Operations

ASJC Scopus subject areas

  • Catalysis
  • Chemistry(all)


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