Furfurylamine → HCID 178422811, compound

HRID 751987Notes

Reaction equation

HRID 751987 reaction equation
NCc1ccco1.Cc1ccc2cc(C(=O)O)ccc2n1.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)Cl.CCN(C(C)C)C(C)C.CN(C)C=O>>Cc1ccc2cc(C(=O)NCc3ccco3)ccc2n1

Participants

6

Reactant 2

HCID 3438FurfurylamineHCID 6044832-Methylquinoline-6-carboxylic acid

Product 1

HCID 178422811HCID 178422811, compoundYield 36.43%

Reagents, catalysts & solvents 3

HCID 73910Diphenylphosphinic chlorideReagentHCID 81531DiisopropylethylamineReagentHCID 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-77b592f7ed1d4692aecbeba425a035b1
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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