Reaction Simulator

Apply a reagent to your molecule using curated reaction templates.

Substrate (Active Molecule)AspirinCC(=O)Oc1ccccc1C(=O)O

Reagents & Conditions

Select Reagent

Add co-reactant (Reactant B)

Substrate (Active) Reactant A

AspirinCC(=O)Oc1ccccc1C(=O)O

Reagent

No Product Predicted

Enter your reaction parameters above, then click Simulate Reaction to run prediction.

Simulation Details

Reactions are predicted using curated SMARTS templates from the Athnium reaction engine. Fukui-based site selection uses AIMNet2 f⁻ descriptors for electrophilic aromatic substitution.

Method:Template Engine + AIMNet2 Fukui