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Author: Subject: TCP from Aspirin?
Chemosynthesis
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[*] posted on 27-1-2015 at 10:03


Quote: Originally posted by CuReUS  

if resonance is taken into account,the reaction must be under kinetic or thermodynamic influence.

What? Only if there is an option between the two, meaning:
1. Two competing reaction paths must be present whereby path A has a thermodynamically more stable product, yet path B has a more thermodynamically stable intermediate.

2. The kinetic pathway must have an activation energy lower than that of the (other) bond enthalpies of the starting material.

Are either of these indicated from molecular mechanics or ab initio calculations, or is there any literature to suggest so?
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