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12 used a combination of reaction-template-matching and energy calculations to predict as feasible (under acidic conditions) and then execute experimentally (but under basic conditions) a retro-Claisen rearrangement of an intermediate hemiacetal in the multistep synthesis of (−)-dolabriferol. The remaining 18 steps of the synthesis were planned manually (i.e., not by the computer).
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12 used a combination of reaction-template-matching and energy calculations to predict as feasible (under acidic conditions) and then execute experimentally (but under basic conditions) a retro-Claisen rearrangement of an intermediate hemiacetal in the multistep synthesis of (−)-dolabriferol. The remaining 18 steps of the synthesis were planned manually (i.e., not by the computer).
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