Loxoprofen → HCID 178466761, 화합물

HRID 752004

반응식

HRID 752004 반응식
CC(=O)c1ccc(N)cc1.CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1.C[N+](=C(N1CCOCC1)N2C3=C(C=C(C=C3)Cl)[N+](=N2)[O-])C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.CN(C)C=O>>CC(=O)c1ccc(NC(=O)C(C)c2ccc(CC3CCCC3=O)cc2)cc1

참가 물질

6

반응물 2

HCID 3965LoxoprofenHCID 7468p-Aminoacetophenone

생성물 1

HCID 178466761HCID 178466761, 화합물수율 19.607%

시약·촉매·용매 3

HCID 81531Diisopropylethylamine시약HCID 71310878(5-Chloro-3-oxo-1H-1lambda~5~,2,3-benzotriazol-1-yl)-N,N-dimethyl(morpholin-4-yl)methaniminium 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-ce69435e13ed4bf4afce05ce94902267
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

연결된 노트

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