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Computer-Assisted Planning of Hydroxychloroquine’s Syntheses Commencing from Inexpensive Substrates and Bypassing Patented Routes.
preprintsubmitted on 24.03.2020, 19:18 and posted on 25.03.2020, 10:39 by Sara Szymkuć, Ewa P. Gajewska, Karol Molga, Agnieszka Wołos, Rafał Roszak, Wiktor Beker, Martyna Moskal, Piotr Dittwald, Bartosz Grzybowski
A computer program for retrosynthetic planning helps develop multiple "synthetic contingency" plans for hydroxychloroquine, a promising but yet unproven medication against COVID-19. These plans are designed to navigate, as much as possible, around known and patented routes and to commence from inexpensive and diverse starting materials, such as to ensure supply in case of anticipated market shortages of the commonly used substrates.