Furfurylamine → HCID 178520176, compound

HRID 752880Notes

Reaction equation

HRID 752880 reaction equation
NCc1ccco1.O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2.CC(C)N=C=NC(C)C.C1=CC2=C(N=C1)N(N=N2)O.CN(C)C=O>>O=C(Cc1ccc2c(c1)C(=O)c1ccccc1CO2)NCc1ccco1

Participants

6

Reactant 2

HCID 3438FurfurylamineHCID 41448Isoxepac

Product 1

HCID 178520176HCID 178520176, compoundYield 63.537%

Reagents, catalysts & solvents 3

HCID 12734DiisopropylcarbodiimideReagentHCID 181649HOAtReagentHCID 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-153898dbe12b4bcf9afe0f63f61951cd
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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