Caffeine → HCID 89609674, compound

HRID 2418873Notes

Reaction equation

HRID 2418873 reaction equation
Cn1c(=O)c2c(ncn2C)n(C)c1=O.O=S(O)C(F)F.[Zn]>CC(C)(C)OO.ClCCl.O.O=C(O)C(F)(F)F>Cn1c(=O)c2c(nc(C(F)F)n2C)n(C)c1=O

Participants

7

Reactant 2

HCID 2519CaffeineHCID 89600919CID 89600919

Product 1

HCID 89609674HCID 89609674, compoundYield 73%

Reagents, catalysts & solvents 4

HCID 6410tert-Butyl hydroperoxideReagentHCID 6422Trifluoroacetic acidReagentHCID 962WaterSolventHCID 6344DichloromethaneSolvent

Conditions

Temperature
25 °C

Sources & evidence

ORD record
ord-70621d6e847749238d95b20c12b2218f
Source dataset
Minisci dataset from Roche

Reaction notes

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