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Elements of Synthesis Planning (Paperback, 2009 ed.)
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Elements of Synthesis Planning (Paperback, 2009 ed.)
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Synthesis is at the core of organic chemistry. In order for
compounds to be studied-be it as drugs, materials, or because of
their physical properties- they have to be prepared, often in
multistep synthetic sequences. Thus, the target compound is at the
outset of synthesis planning. Synthesis involves creating the
target compound from smaller, readily available building blocks.
Immediately, questions arise: From which bui- ing blocks? In which
sequence? By which reactions? Nature creates many highly complex
"natural products" via reaction cascades, in which an asso- ment of
starting compounds present within the cell is transformed by speci
c (for each target structure) combinations of modular enzymes in
speci c - quences into the target compounds [1, 2]. To mimic this
ef ciency is the dream of an ideal synthesis [2]. However, we are
at present so far from - alising such a "one-pot" operation that
actual synthesis has to be achieved via a sequence of individual
discrete steps. Thus, we are left with the task of planning each
synthesis individually in an optimal fashion. Synthesis planning
must be conducted with regard for certain speci - tions, some of
which are due to the structure of the target molecule, and some of
which relate to external parameters such as costs, environmental
compatibility, or novelty. We will not consider these external
aspects in this context. Planning of a synthesis is based on a pool
of information regarding chemical reactions that can be executed
reliably and in high chemical yield.
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