Computer Assisted Reactions Precursor

Figure 2. Contrasts between the methods and goals of development of a synthesis tree in computer-assisted synthesis and development of a reaction sequence tree in structure elucidation. We denote two applications of reaction sequences A) conversion of known precursors into unknown compounds, a problem encountered in mechanistic studies B) conversion of candidate structures for an unknown into a series of products, usually employed in the general problem of structure elucidation.

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