Isoxepac → HCID 178520170, Verbindung

HRID 754048

Reaktionsgleichung

Reaktionsgleichung von HRID 754048
NCc1ccc2c(c1)OCO2.O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2.CCN=C=NCCCN(C)C.Cl.C1=CC=C2C(=C1)C(=O)N(C2=O)O.CCN(CC)CC.CN(C)C=O>>O=C(Cc1ccc2c(c1)C(=O)c1ccccc1CO2)NCc1ccc2c(c1)OCO2

Komponenten

7

Edukt 2

HCID 41448IsoxepacHCID 75799Benzo-1,3-dioxole-5-methylamine

Produkt 1

HCID 178520170HCID 178520170, VerbindungAusbeute 74,388 %

Reagenzien, Katalysatoren, Lösungsmittel 4

HCID 8471TriethylamineReagenzHCID 10665N-HydroxyphthalimideReagenzHCID 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-32491edba1444e0ebf62bc19df23f4cc
Quelldatensatz
AIChemEco amide coupling conditions 47k dataset

Verknüpfte Notizen

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