Abstract:A new method is proposed to translate molecule Lewis structures to machine-readable format data and a software based on Lewis structures has been developed to simulate the practice of chemists writing tautomerization mechanisms. For a tautomeric compound, from one Lewis formula entered by users, the software can generate its other equivalent tautomer (s), which share a common tautomerization intermediate stabilized by resonance. Not only atom balance but also electron balance are guaranteed in the tautomerism … Show more
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