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. 2022 Feb 3;2(2):502–514. doi: 10.1021/jacsau.1c00544

Table 1. Nomenclature of the Reaction Steps Investigated in This Work.

name description reactants products
TS0OH SES formation from ethanol ethanol SES + water
TS0= SES formation from ethene ethene SES
TS1 SES electrophilic attack on benzene SES + benzene ipso-protonated Wheland intermediate
TS2OH ethanol electrophilic attack on benzene ethanol + benzene ipso-protonated Wheland intermediate + water
TS2= ethene electrophilic attack on benzene ethene + benzene ipso-protonated Wheland intermediate
TS3i ipso-protonated Wheland intermediate deprotonation ipso-protonated Wheland intermediate ethylbenzene
TS3pnw para protonation of ethylbenzene with water ethylbenzene + n water para-protonated Wheland intermediate + n water