Reaction pathways design based on the associative property of addition

• Main Authors: Fitri N. Febriana, Fitri N. Febriana, Siti N. Nafisah, Siti N. Nafisah, Lusia S. P. Boli, Lusia S. P. Boli, Rizka N. Fadilla, Rizka N. Fadilla, Wun, F. Mark-Lee, Ira Puspitasari, Ira Puspitasari, Febdian Rusydi, Febdian Rusydi
• Format: Conference or Workshop Item
• Published: 2023
• Subjects: QD Chemistry
• Online Access: http://eprints.utm.my/108248/; http://dx.doi.org/10.1063/5.0181347

The associative property of addition facilitates the change of the group member. If the group members are molecules, can we apply this property to study a chemical reaction? The aim of this paper is to use the associative property of addition to design reaction pathways of methyl acetate hydrolysis in the acid environment. The reaction is found in Alzheimer’s Disease. We evaluate the designed pathways using activation energy obtained from density functional theory calculation. The results show the associative property of addition can be used to design four reaction pathways of the hydrolysis. The calculations show the acidity significantly affected the activation energy. This result agrees with the common knowledge. Hence, we have demonstrated the usefulness of the associative property of addition in designing chemical reaction pathways.