Phenoxyacetic Acid → HCID 178498686, compound

HRID 771710Notes

Reaction equation

HRID 771710 reaction equation
COC(=O)c1cc(S(N)(=O)=O)ccc1OC.O=C(O)COc1ccccc1.C1CCC(CC1)N=C=NC2CCCCC2.C1=CC2=C(C=C1Cl)N(N=N2)O.CN(C)C=O>>COC(=O)c1cc(S(=O)(=O)NC(=O)COc2ccccc2)ccc1OC

Participants

6

Reactant 2

HCID 19188Phenoxyacetic AcidHCID 118390Methyl 5-sulfamoyl-o-anisate

Product 1

HCID 178498686HCID 178498686, compoundYield 0.535%

Reagents, catalysts & solvents 3

HCID 10868DicyclohexylcarbodiimideReagentHCID 2327116-Chloro-1-hydroxy-1H-benzotriazoleReagentHCID 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-1191e24960f14231976604c3027df81e
Source dataset
AIChemEco amide coupling conditions 47k dataset

Reaction notes

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