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Mechanisms for the dehydration of 3 based on QC calculations. The complete pathway of 3b is shown. The process of INT1_H2O, INT1_H2O_TS and INT1_H2O_PC is under natural environment, and the process of INT1_HCl, INT1_HCl_TS and INT1_HCl_PC is upon HCl treatment. RC, reactant complex; TS, transition state; INT, intermediate complex; PC, product complex.
