Matches in SemOpenAlex for { <https://semopenalex.org/work/W164549461> ?p ?o ?g. }
Showing items 1 to 57 of
57
with 100 items per page.
- W164549461 abstract "Retrosynthetic analysis is an essential tool for the design of multistep synthetic procedures. Sadly, even the more expensive chemistry drawing packages focus on molar retention and not on true retrosynthetic analysis and offer little, if anything, in terms of synthetic assistance.Most chemical drawing packages, such as ChemDraw (Registered Trademark) or Chemsketch (Registered Trademark), allow for the generation of a SMILES code for any desired compound. A SMILES (Simplified Molecular Input Line Entry System) is a single line of text representing the connectivity of the molecule eg., acetic acid.The focus of this project was the development of a prototype program where SMILES codes could be used as both input (reactants) and output (products) for conducting synthetic and retrosynthetic methodologies. The resulting SMILES codes can easily be pasted into any chemical drawing package to view the resulting chemicals. Three simple, common organic reactions, SN2, esterification and Diels-Alder reactions, were investigated in the prototype program. We now wish to report on the initial success of this project. The program developed is capable of both synthetic and retrosynthetic reactions for SN2 and esterification reactions and synthetically for the Diels-Alder reactions. We will discuss the strategy required for constructing the program, its current limitations and its potential, if not as a research tool then as a teaching tool for undergraduate organic chemistry." @default.
- W164549461 created "2016-06-24" @default.
- W164549461 creator A5023014271 @default.
- W164549461 creator A5084648364 @default.
- W164549461 date "2005-12-01" @default.
- W164549461 modified "2023-09-24" @default.
- W164549461 title "Computer assisted organic synthesis/retrosynthetic analysis" @default.
- W164549461 hasPublicationYear "2005" @default.
- W164549461 type Work @default.
- W164549461 sameAs 164549461 @default.
- W164549461 citedByCount "0" @default.
- W164549461 crossrefType "journal-article" @default.
- W164549461 hasAuthorship W164549461A5023014271 @default.
- W164549461 hasAuthorship W164549461A5084648364 @default.
- W164549461 hasConcept C127413603 @default.
- W164549461 hasConcept C178790620 @default.
- W164549461 hasConcept C183696295 @default.
- W164549461 hasConcept C185592680 @default.
- W164549461 hasConcept C35753019 @default.
- W164549461 hasConcept C41008148 @default.
- W164549461 hasConcept C42437451 @default.
- W164549461 hasConcept C96765332 @default.
- W164549461 hasConceptScore W164549461C127413603 @default.
- W164549461 hasConceptScore W164549461C178790620 @default.
- W164549461 hasConceptScore W164549461C183696295 @default.
- W164549461 hasConceptScore W164549461C185592680 @default.
- W164549461 hasConceptScore W164549461C35753019 @default.
- W164549461 hasConceptScore W164549461C41008148 @default.
- W164549461 hasConceptScore W164549461C42437451 @default.
- W164549461 hasConceptScore W164549461C96765332 @default.
- W164549461 hasLocation W1645494611 @default.
- W164549461 hasOpenAccess W164549461 @default.
- W164549461 hasPrimaryLocation W1645494611 @default.
- W164549461 hasRelatedWork W1443743067 @default.
- W164549461 hasRelatedWork W1625908186 @default.
- W164549461 hasRelatedWork W178306723 @default.
- W164549461 hasRelatedWork W2001496974 @default.
- W164549461 hasRelatedWork W2040010296 @default.
- W164549461 hasRelatedWork W2064535969 @default.
- W164549461 hasRelatedWork W2121861478 @default.
- W164549461 hasRelatedWork W2193419655 @default.
- W164549461 hasRelatedWork W2369468372 @default.
- W164549461 hasRelatedWork W2799620402 @default.
- W164549461 hasRelatedWork W2949772605 @default.
- W164549461 hasRelatedWork W2950178822 @default.
- W164549461 hasRelatedWork W2950644019 @default.
- W164549461 hasRelatedWork W2950955377 @default.
- W164549461 hasRelatedWork W2967987443 @default.
- W164549461 hasRelatedWork W2994678679 @default.
- W164549461 hasRelatedWork W3082265502 @default.
- W164549461 hasRelatedWork W3205933723 @default.
- W164549461 hasRelatedWork W3207016956 @default.
- W164549461 hasRelatedWork W3211129705 @default.
- W164549461 isParatext "false" @default.
- W164549461 isRetracted "false" @default.
- W164549461 magId "164549461" @default.
- W164549461 workType "article" @default.