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The mechanism of the Cu( i )-catalyzed reductive A 3 -coupling reaction of terminal alkynes with aldehydes and 3-pyrroline for the synthesis of  E -allylic amines has been studied by DFT calculations.

DFT study on theE-stereoselective reductive A3-coupling reaction of terminal alkynes with aldehydes and 3-pyrroline

DFT study on theE-stereoselective reductive A³-coupling reaction of terminal alkynes with aldehydes and 3-pyrroline