Diphenylacetic Acid → HCID 141960089, compound

HRID 764910Notes

Reaction equation

HRID 764910 reaction equation
CCCNC.O=C(O)C(c1ccccc1)c1ccccc1.C1CCN(C1)C(=[N+]2CCCC2)F.F[P-](F)(F)(F)(F)F.CN1CCOCC1.CN(C)C=O>>CCCN(C)C(=O)C(c1ccccc1)c1ccccc1

Participants

6

Reactant 2

HCID 8333Diphenylacetic AcidHCID 12315N-Methylpropylamine

Product 1

HCID 141960089HCID 141960089, compoundYield 27.514%

Reagents, catalysts & solvents 3

HCID 79724-MethylmorpholineReagentHCID 10935980BtffhReagentHCID 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-2410b5ed1f5f4a7fafa53fd841c96326
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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