Rappe Rearrangement. FAIR Data Table 1. Free energies for Cyclisation of dibromoenols. TS1

DOI: 10.14469/hpc/11039 Metadata

Created: 2022-08-25 16:47

Last modified: 2025-03-12 08:27

Author: Henry Rzepa

License: Creative Commons: Public Domain Dedication 1.0

Funding: (none given)

Description

Calculated free energy activation barriers.

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DOIDescription
10.14469/hpc/11036 Rappe Rearrangement. The origin of cis-stereoselectivity in the conversion of 2,3-dibromo-2-methyl-cyclopropan-1-one to (Z)-but-2-enoic acid. TS1 pathway forming cyclopropanone.

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