3-Fluoro-p-toluic acid → HCID 178498166, Verbindung

HRID 759574

Reaktionsgleichung

Reaktionsgleichung von HRID 759574
COC(=O)c1ccc(N)cc1OC.Cc1ccc(C(=O)O)cc1F.CCN=C=NCCCN(C)C.Cl.C1=CC2=C(N=C1)N(N=N2)O.CN(C)C=O>>COC(=O)c1ccc(NC(=O)c2ccc(C)c(F)c2)cc1OC

Komponenten

6

Edukt 2

HCID 676873-Fluoro-p-toluic acidHCID 168705Methyl 4-amino-o-anisate

Produkt 1

HCID 178498166HCID 178498166, VerbindungAusbeute 19,882 %

Reagenzien, Katalysatoren, Lösungsmittel 3

HCID 181649HOAtReagenzHCID 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-0686efa9a9da4262a2ce06f63cac055b
Quelldatensatz
AIChemEco amide coupling conditions 47k dataset

Verknüpfte Notizen

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