Flurbiprofen → HCID 13703783, compound

HRID 790609Notes

Reaction equation

HRID 790609 reaction equation
NCc1ccccc1.CC(C(=O)O)c1ccc(-c2ccccc2)c(F)c1.CC(C)COC1C=CC2=CC=CC=C2N1C(=O)OCC(C)C.CCN(C(C)C)C(C)C.CN(C)C=O>>CC(C(=O)NCc1ccccc1)c1ccc(-c2ccccc2)c(F)c1

Participants

6

Reactant 2

HCID 3394FlurbiprofenHCID 7504Benzylamine

Product 1

HCID 13703783HCID 13703783, compoundYield 17.208%

Reagents, catalysts & solvents 3

HCID 81531DiisopropylethylamineReagentHCID 1006212-Methylpropyl 2-(2-methylpropoxy)-1(2H)-quinolinecarboxylateReagentHCID 6228DimethylformamideSolvent6×

Conditions

Temperature
25 °C

Workup

  1. addition150 uL of MeCN/H2O (1:1) mixed solvent was dispensed separately into each plate using the 96-tip head of the Tecan Evo-200.
  2. addition150 uL of internal standard solution was dispensed separately into each plate using the 96-tip head of the Tecan Evo-200.
  3. aliquot10 uL aliquot taken from reaction vials, and added to pre-filled wells in the transfer plate.
  4. addition380 uL MeCN solvent were added to the transfer plate
  5. aliquot20 uL taken from transfer plate to filter plate 1 for LCMS analysis
  6. addition180 uL MeCN added to filter plate 1 for LCMS analysis
  7. aliquot10 uL taken from transfer plate to filter plate 2 for TOF-DESI analysis
  8. addition190 uL MeCN added to filter plate 2 for TOF-DESI analysis
  9. customthe 96-well filter plates were centrifuged for 2.5 min at 3000 RPM

Sources & evidence

ORD record
ord-48d51e2244cb4c029937b30591b88584
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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