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. 2022 Jul 25;7(30):26952–26964. doi: 10.1021/acsomega.2c03812

Table 1. Literature Data Set Profile.

      ΔΔG [kcal mol–1]
literature ID number of reactions putative reaction mechanism average minimum maximum
028 20 Mannicha 0.92 0 1.51
129 24 Mannicha 1.03 0.11 1.53
230 14 Mannicha 0.68 0 1.23
331 13 Additionb 1.65 0.06 3.13
432 8 Mannicha 0.22 0.06 0.75
533 13 Friedel–Craftsc 1.73 1.22 1.98
634 24 Additionb 1.51 0 3.13
a

Direct aza-Mannich reaction.

b

Catalytic asymmetric addition of an amide (imide) by nucleophilic attack.

c

Friedel–Crafts reaction.