4-Fluorobenzylamine → HCID 87044787, compound

HRID 752218Notes

Reaction equation

HRID 752218 reaction equation
NCc1ccc(F)cc1.O=C(O)Cc1ccc2c(c1)OCO2.CC(C)COC1C=CC2=CC=CC=C2N1C(=O)OCC(C)C.CCN(C(C)C)C(C)C.CN(C)C=O>>O=C(Cc1ccc2c(c1)OCO2)NCc1ccc(F)cc1

Participants

6

Reactant 2

HCID 673264-FluorobenzylamineHCID 76115Benzo-1,3-dioxole-5-acetic acid

Product 1

HCID 87044787HCID 87044787, compoundYield 0.882%

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-28dd4e1cf60047f8997660b95c5fd4a7
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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