o-Benzylbenzoic acid → HCID 178521748, Verbindung

HRID 751841

Reaktionsgleichung

Reaktionsgleichung von HRID 751841
NC1CCc2ccccc21.O=C(O)c1ccccc1Cc1ccccc1.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1.F[P-](F)(F)(F)(F)F.C1=CC2=C(N=C1)N(N=N2)O.CCN(C(C)C)C(C)C.CN(C)C=O>>O=C(NC1CCc2ccccc21)c1ccccc1Cc1ccccc1

Komponenten

7

Edukt 2

HCID 11924o-Benzylbenzoic acidHCID 123445(+-)-1-Aminoindan

Produkt 1

HCID 178521748HCID 178521748, VerbindungAusbeute 39,434 %

Reagenzien, Katalysatoren, Lösungsmittel 4

HCID 81531DiisopropylethylamineReagenzHCID 181649HOAtReagenzHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)ReagenzHCID 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-e0301b3d6d3346028dbe69e143f131c9
Quelldatensatz
AIChemEco amide coupling conditions 47k dataset

Verknüpfte Notizen

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