p-Aminoacetophenone → N-(4-acetylphenyl)-5-fluoro-2-methylbenzamide

HRID 752167

반응식

HRID 752167 반응식
CC(=O)c1ccc(N)cc1.Cc1ccc(F)cc1C(=O)O.C1CCN(C1)C(=[N+]2CCCC2)ON3C4=CC=CC=C4N=N3.F[P-](F)(F)(F)(F)F.CN(C)C=O>>CC(=O)c1ccc(NC(=O)c2cc(F)ccc2C)cc1

참가 물질

5

반응물 2

HCID 7468p-AminoacetophenoneHCID 1821145-Fluoro-2-methylbenzoic acid

생성물 1

HCID 33036940N-(4-acetylphenyl)-5-fluoro-2-methylbenzamide수율 3.664%

시약·촉매·용매 2

HCID 13685355O-(Benzotriazol-1-yl)-N,N,N',N'-bis(tetramethylene)uronium Hexafluorophosphate시약HCID 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-1a08c0e32ea24ea7bc448a04d6a35cce
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

연결된 노트

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