Ethanol → 1-Ethylisoquinoline

HRID 2029481Notes

Reaction equation

HRID 2029481 reaction equation

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

Participants

6

Reactant 3

HCID 702Ethanol

HCID 1110Succinic 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-f0eda9370e6f46359571212cf0c52205
Source dataset: 39k HTE dataset from Pfizer
DOI: 10.1038/s41557
Original link: View source

Reaction notes

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