Case Studies on Enabling Data-Rich, Parallelized Kinetic Analysis for Process Optimization with the ReactALL Platform

Automated, scale-predictive reaction profiling is often constrained by material limitations, sampling fidelity, and/or reactor mixing artifacts. We report the application of ReactALL, a five-reactor automated platform with a 5 mL working volume that integrates overhead agitation with built-in sampling, to generate reproducible, data-rich time-course reaction profiles. The performance of ReactALL was validated through three industry-relevant case studies: (1) the rapid, material-efficient development of an amidation reaction (Sanofi), (2) variable time normalization analysis (VTNA) of a Pd-catalyzed Suzuki–Miyaura coupling reaction (MSD), and (3) kinetic modeling of an S N Ar reaction (Pfizer). In each case, data sets obtained from ReactALL closely matched those obtained from established laboratory reactors while offering >10-fold savings in material consumption compared to conventional automated laboratory reactors. The analysis of the generated data provided valuable and actionable insights into reaction behavior, accelerating effective process optimization and predictive modeling across a range of reaction types. Collectively, these results demonstrate that ReactALL enables material-efficient, parallelized generation of high-quality kinetic data, supporting mechanistic analysis, predictive modeling, and scalable process development.

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Publication Details

Journal
Organic Process Research & Development
Published
2026-06-30
DOI
https://doi.org/10.1021/acs.oprd.6c00131
Primary Topic
Advanced Control Systems Optimization
Type
article
Field-Weighted Citation Impact
0.00
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article

Case Studies on Enabling Data-Rich, Parallelized Kinetic Analysis for Process Optimization with the ReactALL Platform

Truong N. Nguyen, Andreas R. Rötheli, Kevin Stone, Alan H. Cherney et al.
Organic Process Research & Development
Advanced Control Systems Optimization
article

Case Studies on Enabling Data-Rich, Parallelized Kinetic Analysis for Process Optimization with the ReactALL Platform

Truong N. Nguyen, Andreas R. Rötheli, Kevin Stone, Alan H. Cherney, Melodie Christensen, Vaishnavi N. Nair, Madeleine C. Deem, Sébastien Monfette, Lu Han
article en

Abstract

Automated, scale-predictive reaction profiling is often constrained by material limitations, sampling fidelity, and/or reactor mixing artifacts. We report the application of ReactALL, a five-reactor automated platform with a 5 mL working volume that integrates overhead agitation with built-in sampling, to generate reproducible, data-rich time-course reaction profiles. The performance of ReactALL was validated through three industry-relevant case studies: (1) the rapid, material-efficient development of an amidation reaction (Sanofi), (2) variable time normalization analysis (VTNA) of a Pd-catalyzed Suzuki–Miyaura coupling reaction (MSD), and (3) kinetic modeling of an S N Ar reaction (Pfizer). In each case, data sets obtained from ReactALL closely matched those obtained from established laboratory reactors while offering >10-fold savings in material consumption compared to conventional automated laboratory reactors. The analysis of the generated data provided valuable and actionable insights into reaction behavior, accelerating effective process optimization and predictive modeling across a range of reaction types. Collectively, these results demonstrate that ReactALL enables material-efficient, parallelized generation of high-quality kinetic data, supporting mechanistic analysis, predictive modeling, and scalable process development.

Organic Process Research & Development
Merck & Co., Inc., Rahway, NJ, USA (United States) (US), Pfizer (United States) (US)
Openalex Percentile: Top 8%
Advanced Control Systems Optimization
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