chemdraw_propose_scope
Propose a standard aromatic substrate scope offline: generate deduplicated electronic, halogen, methyl, and steric variants with SMILES, labels, rationale, and blank yields.
Instructions
Propose a standard aromatic substrate scope offline, not experimental results. Parent requires a uniquely atom-mapped benzene carbon attached to the existing reaction handle on an isolated monosubstituted ring. Produces deduplicated parent, electronic, halogen, 2/3/4-Me and steric variants with stable graph IDs, SMILES, relative labels, rationale and blank yields. Preserves supported parent graph/stereo. No native drawing or reaction prediction. Review/select candidates, then call draw_structures with explicit compound_id/label/smiles.
Input Schema
| Name | Required | Description | Default |
|---|---|---|---|
| profile | No | standard | |
| parent_smiles | Yes | ||
| handle_atom_map | Yes |