Aaron TS Template Library

Dearomatization/thiourea

TS structures for the dearomatization of beta-naphthols catalyzed by Nakajima's bifunctional thiourea catalyst

Included are TS structures for the two key steps (TS2 and TS3) and the surrounding energy minima (int 2 and int3).

See https://doi.org/10.1002/anie.201507998 for experimental data


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R/int2/min1.xyz


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Key atoms are highlighted in red