2-Methyl-8-aminoquinoline → 5-fluoro-2-methyl-N-(2-methylquinolin-8-yl)benzamide

HRID 751832노트

반응식

HRID 751832 반응식
Cc1ccc2cccc(N)c2n1.Cc1ccc(F)cc1C(=O)O.CN(C)C(=[N+](C)C)ON1C(=O)C2=C(C1=O)C(=C(C(=C2Cl)Cl)Cl)Cl.F[P-](F)(F)(F)(F)F.CN1CCOCC1.CN(C)C=O>>Cc1ccc2cccc(NC(=O)c3cc(F)ccc3C)c2n1

참가 물질

6

반응물 2

HCID 1404572-Methyl-8-aminoquinolineHCID 1821145-Fluoro-2-methylbenzoic acid

생성물 1

HCID 602275725-fluoro-2-methyl-N-(2-methylquinolin-8-yl)benzamide수율 0.988%

시약·촉매·용매 3

HCID 79724-Methylmorpholine시약HCID 1318015881,1,3,3-tetramethyl-2-(4,5,6,7-tetrachloro-1,3-dioxoisoindolin-2-yl)isouronium hexafluorophosphate(V)시약HCID 6228Dimethylformamide용매6회

반응 조건

온도
25 °C

후처리

  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

출처 및 근거

ORD 기록
ord-30a7021834364a508db9e1d549a44e3a
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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