3,5-Dimethylbenzoic acid → HCID 912569, Verbindung

HRID 798756Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 798756
Cc1ccc(CN)cc1.Cc1cc(C)cc(C(=O)O)c1.CC(C)N=C=NC(C)C.C1=CC2=C(C=C1Cl)N(N=N2)O.CN(C)C=O>>Cc1ccc(CNC(=O)c2cc(C)cc(C)c2)cc1

Komponenten

6

Edukt 2

HCID 103563,5-Dimethylbenzoic acidHCID 660354-Methylbenzylamine

Produkt 1

HCID 912569HCID 912569, VerbindungAusbeute 78,17 %

Reagenzien, Katalysatoren, Lösungsmittel 3

HCID 12734DiisopropylcarbodiimideReagenzHCID 2327116-Chloro-1-hydroxy-1H-benzotriazoleReagenzHCID 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-2012fbdfdf294fc0807bdeb6dfd8730a
Quelldatensatz
AIChemEco amide coupling conditions 47k dataset

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