How to do retrosynthesis in organic chemistry

This guide covers how to do retrosynthesis by hand and with software. If you need definitions first, see what is retrosynthesis in organic chemistry.

Manual checklist

1. Draw the full target and mark stereocenters / protecting groups.
2. Identify strategic bonds (near functional groups, rings, or chiral centers).
3. Propose one disconnection at a time; write the forward reaction you would use.
4. Check whether precursors are commercial or need further retrosynthesis analysis.
5. Prefer routes with fewer redox steps and fewer protecting-group operations.
6. Validate with literature or an online retrosynthesis tool.

How to do retrosynthesis with ChemicalTool Reaction

1. Open the AI retrosynthesis planner.
2. Paste target SMILES or draw the chemical structure.
3. Set max routes and time limit; optionally enrich library evidence.
4. Inspect ranked routes — treat them as hypotheses, not finished procedures.
5. Cross-check precursors and conditions before lab work.

Example targets

Ethanol retrosynthesis Aspirin retrosynthesis Full target catalog

FAQ