Theophylline → HCID 57326936, compound

HRID 2418874Notes

Reaction equation

HRID 2418874 reaction equation
Cn1c(=O)c2[nH]cnc2n(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)c2[nH]c(C(F)F)nc2n(C)c1=O

Participants

7

Reactant 2

HCID 2153TheophyllineHCID 89600919CID 89600919

Product 1

HCID 57326936HCID 57326936, compoundYield 90%

Reagents, catalysts & solvents 4

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

Conditions

Temperature
25 °C

Sources & evidence

ORD record
ord-8e09e9f9972d4162ab0620d1f8561945
Source dataset
Minisci dataset from Roche

Reaction notes

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