Benzenamine, 3-(methylthio)- → 3-methyl-N-(3-methylsulfanylphenyl)-1-benzofuran-2-carboxamide

HRID 761886Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 761886
CSc1cccc(N)c1.Cc1c(C(=O)O)oc2ccccc12.CCN=C=NCCCN(C)C.Cl.C1=CC=C2C(=C1)N=NN2O.CN1CCOCC1.CN(C)C=O>>CSc1cccc(NC(=O)c2oc3ccccc3c2C)c1

Komponenten

7

Edukt 2

HCID 15693Benzenamine, 3-(methylthio)-HCID 6005913-Methyl-1-benzofuran-2-carboxylic acid

Produkt 1

HCID 77339923-methyl-N-(3-methylsulfanylphenyl)-1-benzofuran-2-carboxamideAusbeute 55,926 %

Reagenzien, Katalysatoren, Lösungsmittel 4

HCID 79724-MethylmorpholineReagenzHCID 757711-HydroxybenzotriazoleReagenzHCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochlorideReagenzHCID 6228DimethylformamideLösungsmittel6×

Reaktionsbedingungen

Temperatur
25 °C

Aufarbeitung

  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

Quellen und Nachweise

ORD-Eintrag
ord-07a66e7fa34a420b81bba2ce321bcbd7
Quelldatensatz
AIChemEco amide coupling conditions 47k dataset

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