ArticleAngewandte Chemie (International ed. in English)2023
Bayesian Self-Optimization for Telescoped Continuous Flow Synthesis.
Article in Angewandte Chemie (International ed. in English), 2023. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 24 papers.
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Who cites it
24 citing papers in PubMed.
- A Practical Guide to Bayesian Optimization for Organic Chemists.Chem catalysis · 2026Article
- Automated Dynamic Flow Experimentation for Rapid Kinetic Fitting of Transition Metal Catalysis.Angewandte Chemie (International ed. in English) · 2026Article
- Staged Diversity-Constrained Machine Learning for High-Dimensional Reaction Condition Optimization.Angewandte Chemie (International ed. in English) · 2026Article
- The Impact of Continuous Flow Technology and Collaboration between Academia and Industry.JACS Au · 2026Review
- Review
- Homogeneous catalysis in continuous flow integrating photocatalysis, electrocatalysis, and automation technologies.Communications chemistry · 2025Review
- Enabling technology for accelerated discovery of supramolecular materials.Chemical science · 2025Review
- Article
- Deep Reinforcement Learning-Based Self-Optimization of Flow Chemistry.ACS engineering Au · 2025Article
- Recent Developments in Automated Reactors for Plasmonic Nanoparticles.Nanomaterials (Basel, Switzerland) · 2025Review
- Emerging trends in the optimization of organic synthesis through high-throughput tools and machine learning.Beilstein journal of organic chemistry · 2025Review
- Automated Optimization of a Multistep, Multiphase Continuous Flow Process for Pharmaceutical Synthesis.ACS sustainable chemistry & engineering · 2024Article
- Article
- Self-Driving Laboratories for Chemistry and Materials Science.Chemical reviews · 2024Review
- Simultaneous reaction- and analytical model building using dynamic flow experiments to accelerate process development.Chemical science · 2024Article
- Reaction-Agnostic Featurization of Bidentate Ligands for Bayesian Ridge Regression of Enantioselectivity.ACS catalysis · 2024Article
- Utopia Point Bayesian Optimization Finds Condition-Dependent Selectivity forJournal of the American Chemical Society · 2024Article
- Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes.Chemical science · 2024Article
- A Slug Flow Platform with Multiple Process Analytics Facilitates Flexible Reaction Optimization.Advanced science (Weinheim, Baden-Wurttemberg, Germany) · 2024Article
- Comparative Study on Adaptive Bayesian Optimization for Batch Cooling Crystallization for Slow and Fast Kinetic Regimes.Crystal growth & design · 2024Article
Corrections and comments
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Authors and funding
10 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The optimization of multistep chemical syntheses is critical for the rapid development of new pharmaceuticals. However, concatenating individually optimized reactions can lead to inefficient multistep syntheses, owing to chemical interdependencies between the steps. Herein, we develop an automated continuous flow platform for the simultaneous optimization of telescoped reactions. Our approach is applied to a Heck cyclization-deprotection reaction sequence, used in the synthesis of a precursor for 1-methyltetrahydroisoquinoline C5 functionalization. A simple method for multipoint sampling with a single online HPLC instrument was designed, enabling accurate quantification of each reaction, and an in-depth understanding of the reaction pathways. Notably, integration of Bayesian optimization techniques identified an 81 % overall yield in just 14 h, and revealed a favorable competing pathway for formation of the desired product.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.