Browsing by Author "J. Silva, Pedro"

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Computational exploration of the reactionmechanism of the Cu + -catalysed synthesis of indoles from N-aryl enaminones

E. P. Bernardo, Carlos; J. Silva, Pedro (2016)

We have studied the role of Cu+ -phenantroline as a catalyst in the cyclization ofN-aryl-enaminones using density-functional theory computations. The catalyst was found to bind the substrate upon deprotonation of its ...