@article{5a1b4841361b4fe88134ff65188f890b,
title = "Digitizing Chemical Synthesis in 3D Printed Reactionware",
abstract = "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.",
keywords = "3D Printing, Chemical Education, C−C Coupling, Reactionware, Unit Operations",
author = "Andrius Bubliauskas and Blair, {Daniel J.} and Henry Powell-Davies and Kitson, {Philip J.} and Burke, {Martin D.} and Leroy Cronin",
note = "Funding Information: We gratefully acknowledge financial support from the EPSRC (Grant Nos. EP/L023652/1, EP/R020914/1, EP/S030603/1, EP/R01308X/1, EP/S017046/1, and EP/S019472/1), the ERC (Project No. 670467 SMART-POM), the EC (Project No. 766975 MADONNA), The John Templeton Foundation (Project Nos. 60625 and 61184), and DARPA (Project Nos. W911NF-18-2-0036, W911NF-17-1-0316, and HR001119S0003). The NIH (GM118185). The NSF (CHE-2019897). Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect those of the National Science Foundation. D.J.B. is an Illinoi 4000 Post-Doctoral Fellow of the Damon Runyon Cancer Research Foundation (DRG-2290-17). The authors would like to acknowledge Alexandra Mackie for the design and 3D printing of the polypropylene high-surface condenser that was used in many syntheses. Dr. Nicola Bell, for giving very useful comments on the manuscript. Funding Information: We gratefully acknowledge financial support from the EPSRC (Grant Nos. EP/L023652/1, EP/R020914/1, EP/S030603/1, EP/R01308X/1, EP/S017046/1, and EP/S019472/1), the ERC (Project No. 670467 SMART‐POM), the EC (Project No. 766975 MADONNA), The John Templeton Foundation (Project Nos. 60625 and 61184), and DARPA (Project Nos. W911NF‐18‐2‐0036, W911NF‐17‐1‐0316, and HR001119S0003). The NIH (GM118185). The NSF (CHE‐2019897). Any opinions, findings, and conclusions or recommendations expressed in this material are those of the author(s) and do not necessarily reflect those of the National Science Foundation. D.J.B. is an Illinoi 4000 Post‐Doctoral Fellow of the Damon Runyon Cancer Research Foundation (DRG‐2290‐17). The authors would like to acknowledge Alexandra Mackie for the design and 3D printing of the polypropylene high‐surface condenser that was used in many syntheses. Dr. Nicola Bell, for giving very useful comments on the manuscript. Publisher Copyright: {\textcopyright} 2022 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH.",
year = "2022",
month = jun,
day = "13",
doi = "10.1002/anie.202116108",
language = "English (US)",
volume = "61",
journal = "Angewandte Chemie - International Edition",
issn = "1433-7851",
publisher = "John Wiley & Sons, Ltd.",
number = "24",
}