Ethanol → 1-Ethylisoquinoline

HRID 2029492Notes

Reaction equation

HRID 2029492 reaction equation

[cH:1]1[cH:10][c:9]([c:4]2[cH:3][cH:2]1)[cH:8][cH:7][n:6][cH:5]2.[CH3:11][CH2:12]O.CC(C(O)=O)(C)C>>[CH3:11][CH2:12][c:5]1[c:4]([c:9]2[cH:8][cH:7][n:6]1)[cH:3][cH:2][cH:1][cH:10]2

Participants

6

Reactant 3

HCID 702Ethanol

HCID 6417Pivalic acid

HCID 8405Isoquinoline

Product 1

HCID 5936861-Ethylisoquinoline

Reagents, catalysts & solvents 2

HCID 6342AcetonitrileSolvent

HCID 117669-PhenylanthraceneInternal standard

Conditions

Temperature: 25 °C

Sources & evidence

ORD record: ord-f64a7527e52c458fb09273eb53796c28
Source dataset: 39k HTE dataset from Pfizer
DOI: 10.1038/s41557
Original link: View source

Reaction notes

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