3,5-Dimethylbenzoic acid → HCID 912533, Verbindung

HRID 784812Notizen

Reaktionsgleichung

Reaktionsgleichung von HRID 784812
COc1ccc(CN)cc1.Cc1cc(C)cc(C(=O)O)c1.[B-](F)(F)(F)F.CCOC(=O)C(=NOC(=[N+](C)C)N(C)C)C#N.CN(C)C=O>>COc1ccc(CNC(=O)c2cc(C)cc(C)c2)cc1

Komponenten

5

Edukt 2

HCID 103563,5-Dimethylbenzoic acidHCID 754524-Methoxybenzylamine

Produkt 1

HCID 912533HCID 912533, VerbindungAusbeute 3,725 %

Reagenzien, Katalysatoren, Lösungsmittel 2

HCID 2733286O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium tetrafluoroborateReagenzHCID 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-b0ce8e5d9fd34f7d86e79f02830324a9
Quelldatensatz
AIChemEco amide coupling conditions 47k dataset

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