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- W4309219022 abstract "In this study, we attempted to explain why the substitution of a cyano group onto the 1-azadiene moiety promotes N-(2,3-diphenylallylidene)pent-4-en-1-amine to undergo an intramolecular aza-Diels Alder reaction. Our M06-2X study found that the intramolecular aza-Diels Alder reaction of N-(2,3-diphenylallylidene)pent-4-en-1-amine has an inverse electron demand. Therefore, the attachment of a cyano group to the diene moiety (1-azadiene) makes the intramolecular aza-Diels Alder reaction feasible. Moreover, the intramolecular aza-Diels Alder reaction of N-(2,3-diphenylallylidene)pent-4-en-1-amine was found to be a kinetically controlled reaction." @default.
- W4309219022 created "2022-11-24" @default.
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- W4309219022 date "2022-11-28" @default.
- W4309219022 modified "2023-10-14" @default.
- W4309219022 title "Theoretical study of cyano‐promoted intramolecular aza‐Diels–Alder reaction" @default.
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- W4309219022 doi "https://doi.org/10.1002/poc.4466" @default.
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