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Table 1 Energetics of the 1,3-dipolar cycloaddition reactions of N,C,C-trisubstituted nitrone with ring acceptor substituted dimethyl methylenecyclopropane-1,2-dicarboxylates

From: 1,3-Dipolar [3 + 2] cycloaddition reactions of N,C,C-trisubstituted nitrones with ring-acceptor methylenecyclopropanes: a computational study

Substituents	Activation energy (kcal/mol)		Reaction energy (kcal/mol)
Substituents	4-isomer	5-isomer	4-isomer	5-isomer
R₁=–H, R₂=–H	+8.5	+11.7	−40.7	−32.5
R₁=–H, R₂=–Ph	+30.3	+16.9	−9.1	−17.9
R₁=–H, R₂=–CO₂CH₃	+16.0	+13.6	−21.5	−36.7
R₁=–Cl, R₂=–CO₂CH₃	+15.6	+14.1	−22.7	−38.1
R₁=–CH₃, R₂=CO₂CH₃	+16.0	+13.0	−21.1	−36.3

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