reactionsmake

Reactionsmake is a term used to describe a modular framework for designing, simulating, and documenting chemical reaction sequences by assembling predefined reaction templates into larger networks. It emphasizes composability: each template encodes a single transformation with defined inputs, outputs, typical conditions, and constraints, and templates can be linked to form reaction graphs or workflows. The concept is used in education and in some computational chemistry tools to help students and researchers plan syntheses, compare alternative routes, and systematically record experimental details.

Origin and usage: The exact provenance of the term varies by community, but it has appeared in open-source software discussions and academic teaching materials as a shorthand for building reaction pathways from reusable components rather than coding each reaction from scratch. It is not a single standardized standard, but a family of related ideas and implementations.

Core components: A library of templates covering common transformations, a graph-based representation of reaction sequences, rules or heuristics for retrosynthesis, parameter handling for reagents and conditions, and visualization and reporting capabilities. Some implementations are designed to export executable plans for laboratory automation or educational demonstrations.

Applications: Teaching organic synthesis, planning multi-step routes in research, documenting experiments for reproducibility, and interfacing computational design with laboratory execution.

Limitations: Dependence on template quality and coverage; challenges in ensuring chemical validity, safety, and experimental feasibility; potential for overreliance on automated suggestions without expert oversight.

See also: retrosynthesis, reaction templates, cheminformatics, lab automation, reaction network.