Reaction coding sheet

We design a reaction coding sheet to contain most of the information needed by both reaction retriever and synthesizer programs (Figure 4) Data on reactants, products, intermediates, reagents, conditions, yields work-up procedures mechanism, and... 

In phase lip we asked Merck chemists to code reactions in their area of expertise We received 44 coded sheets from 31 chemistst a gratifying response. However while these were eminently suitable for current awareness circulation and for a reaction retrieval service they were generally unsuitable for a synthesizer. Thus as summarized in Table I over 50% of the... 

A preferential oxidation (PROX) unit. This is modelled in the Aspen flow sheet code by two stoichiometric reactors, one to perform the PROX of carbon monoxide and the subsequent one to remove the remaining oxygen via reaction with hydrogen. These have been removed in the flow sheet shown below and shown as a single unit, as would be experienced in practice. 

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