Title : An ab Initio Study of Facial Selectivity in the Diels-Alder Reaction.

Pub. Date : 1998 Jan 9

PMID : 11674049






3 Functional Relationships(s)
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1 The ranges of activation energies for syn addition are large relative to those for anti addition, which are all similar to the activation energy for cyclopentadiene itself. Cyclopentanes synemin Homo sapiens
2 Deformation of the 5-fluoro-, 5-hydroxy-, and 5-amino-1,3-cyclopentadienes into their syn transition state geometries is predicted to require less energy than deformation of cyclopentadiene itself, which is in accord with experimental observation of syn addition with these dienes. Cyclopentanes synemin Homo sapiens
3 Deformation of the 5-fluoro-, 5-hydroxy-, and 5-amino-1,3-cyclopentadienes into their syn transition state geometries is predicted to require less energy than deformation of cyclopentadiene itself, which is in accord with experimental observation of syn addition with these dienes. Cyclopentanes synemin Homo sapiens