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DigiChemTree enables programmable light-induced carbene generation for on-demand chemical synthesis

Chemistry

DigiChemTree enables programmable light-induced carbene generation for on-demand chemical synthesis

A. Rana, R. Chauhan, et al.

Discover how DigiChemTree revolutionizes chemical synthesis! This innovative AI platform optimizes photochemical reaction parameters in real-time, leading to faster and more efficient on-demand molecule synthesis. The groundbreaking research was conducted by Abhilash Rana, Ruchi Chauhan, Amirreza Mottafegh, Dong Pyo Kim, and Ajay K. Singh.

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Playback language: English
Abstract
Reproducibility in chemical synthesis is challenging. This paper introduces DigiChemTree, an AI-backed platform that auto-optimizes photochemical reaction parameters for on-demand molecule synthesis. It uses a continuous flow reactor with integrated AI to optimize light-induced carbene generation and its coupling with various nucleophiles, achieving high yields and significantly reducing reaction times compared to traditional methods. The platform was successfully applied to late-stage functionalization of active pharmaceutical ingredients.
Publisher
Communications Chemistry
Published On
Nov 01, 2024
Authors
Abhilash Rana, Ruchi Chauhan, Amirreza Mottafegh, Dong Pyo Kim, Ajay K. Singh
Tags
DigiChemTree
AI
photochemical synthesis
molecule optimization
reaction parameters
pharmaceuticals
continuous flow reactor

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