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. 2022 Jan 19;27(3):630. doi: 10.3390/molecules27030630

Table 2.

Free energy of activation for cyclization and reductive elimination steps in the reaction of 38 with aryl bromides.

graphic file with name molecules-27-00630-i002.jpg

Entry R ΔG (cycl.) ΔG (RE)
1 H 107.5 kJ/mol 53.1 kJ/mol
2 CN 101.3 kJ/mol 38.8 kJ/mol
3 OMe 107.9 kJ/mol 50.6 kJ/mol