Route evaluation and scale-up feasibility

When transitioning a route from medicinal-chemistry scale to process scale, lab-scale moves (chromatography, expensive catalysts, low temperatures) become bottlenecks. This tutorial uses the platform's scalability scoring and reference data to identify the most manufacturing-friendly path.

Steps

1. Open a finished retrosynthesis result for the target.
2. Apply the Process scoring profile (or the Lowest cost sort). This re-ranks routes by their scalability and cost dimensions rather than novelty or confidence.
3. For the top-ranked routes, open each step's reference entries. Read the published procedures for:
   • Reaction temperature (process favors mild, ambient or near-ambient).
   • Solvent (process favors common, recyclable: EtOAc, IPA, water, toluene).
   • Workup (process avoids column chromatography; aqueous extractions and crystallizations are preferred).
   • Catalysts (process favors common, recoverable, non-precious).
4. Flag any steps using high-temperature, exotic-solvent, or chromatography-only procedures. These are scale-up risk points.
5. Use Route Builder to swap any risky steps with equivalents pinned from other routes.
6. Export the chosen route as a lab bundle. The procedure.md and reagents.csv give a CRO or your process group a complete starting point.

What you walk away with

A route candidate selected for scalability rather than discovery elegance, with the lab-scale bottlenecks already swapped or flagged.