Table 6. Distortion/Interaction Analysis for the Chemoselectivity-Determining Step^a.

		ΔE‡dist
	ΔΔG‡	ΔE‡dist (Cat)	ΔE‡dist (R1)	ΔE‡dist (R2)	ΔE‡act	ΔE‡int
α-5	3.3b	8.4	127.2	4.5	24.0	–116.2
β-5	0	9.5	127.9	4.4	20.7	–121.1

^aAll of the values are in kcal/mol.

^bAll of the data were calculated at the M06-2X-D3/6-311++G(2df, 2pd)/IEF-PCM_chloroform//M06-2X/6-31G(d, p)/IEF-PCM_chloroform level.