Reaction Lab™ is a kinetic modeling software, developed for process development chemists and engineers with no previous background in the area. The software enables the user to combine their chemistry insight with routinely collected experimental data and turn this into a mechanistic understanding of the main reaction steps that form products and impurities.
With this knowledge, the user can speed up the development and optimization of organic synthesis reactions.
Reaction Lab supports an efficient, innovation-driven process development workflow centered around transforming high-quality data into unique process understanding. A library of kinetic models enables exploration of the design space without running multiple experiments.
The powerful modeling tools in Reaction Lab include modules for:
Through kinetic modeling, Reaction Lab offers an in-depth understanding of the reaction yield, selectivity, and catalyst deactivation. This characterization can reveal new opportunities for process optimization which can be run in-silico and verified in the lab.
To facilitate these insights, Reaction Lab:
Reaction Lab makes modeling the impact of critical process parameters on reaction kinetics fast and easy. This understanding can then be leveraged to deliver first-right-time campaigns of the expected yield and quality.
Reaction Lab software builds and solves the necessary equations, allowing users to focus on understanding their chemistry.
Kinetic models developed in batch conditions can be used to investigate running a process at scale in traditional batch reactors or in alternative technologies, such as flow reactors without having to buy and install new equipment. This easy-to-learn modeling environment can be deployed on any PC or laptop running Windows 8 or higher.
With Reaction Lab, you get access to our full Knowledge Base with a wealth of content including:
Free training sessions are also available so you get the most out of your software.
Reaction Lab fits a mechanistic approach to understanding organic synthesis chemistry, which provides critical guidance to identify process conditions that are robust, maximize yield and minimize impurity formation.
Routinely collected time series data from PAT and offline analytical sources are combined with the chemist’s underlying knowledge to fit kinetic expressions to the main steps for each reaction.
Reaction Lab brings this powerful mechanistic insight via kinetic modeling to chemists because:
Reaction Lab template models include:
