Reaction Atom Mapper

Assign atom-to-atom correspondence across supplied reactions with RXNMapper, separate reactants from reagents, and check element, mass, formal-charge, and stereocentre changes. Optionally extract RDChiral retro and forward templates.
Estimated minimum cost: $—

Examples

Reactions

Provide up to 10,000 reactions as reactants>agents>products SMILES (for example CC(=O)O.OCC>>CC(=O)OCC.O). Reactions that cannot be parsed are reported rather than failing the batch.

Advanced options

Molecules that contribute mapped atoms to a product are reactants; the rest are reagents. Balance compares reactants with products.