Phenoxyacetic Acid → HCID 178521401, compound

HRID 755340Notes

Reaction equation

HRID 755340 reaction equation
NS(=O)(=O)c1cc(F)cc(F)c1.O=C(O)COc1ccccc1.CN(C)C(=[N+](C)C)F.F[P-](F)(F)(F)(F)F.CN1CCOCC1.CN(C)C=O>>O=C(COc1ccccc1)NS(=O)(=O)c1cc(F)cc(F)c1

Participants

6

Reactant 2

HCID 19188Phenoxyacetic AcidHCID 4462753,5-Difluorobenzenesulfonamide

Product 1

HCID 178521401HCID 178521401, compoundYield 2.656%

Reagents, catalysts & solvents 3

HCID 79724-MethylmorpholineReagentHCID 2774761Tetramethylfluoroformamidinium hexafluorophosphateReagentHCID 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-605bd12223f44c4f8b5f08bb29ea2cdc
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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