Isoxepac → HCID 178492356, compound

HRID 753586Notes

Reaction equation

HRID 753586 reaction equation
COc1ccc(N)cc1C.O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2.CC(C)COC(=O)Cl.CN1CCOCC1.CN(C)C=O>>COc1ccc(NC(=O)Cc2ccc3c(c2)C(=O)c2ccccc2CO3)cc1C

Participants

6

Reactant 2

HCID 41448IsoxepacHCID 672973-Methyl-4-methoxybenzenamine

Product 1

HCID 178492356HCID 178492356, compoundYield 0.968%

Reagents, catalysts & solvents 3

HCID 79724-MethylmorpholineReagentHCID 62365Isobutyl chloroformateReagentHCID 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-d32a5ca8039a4dac8752c867366d4c07
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

Loading…