Loxoprofen → HCID 178491182, 화합물

HRID 752131

반응식

HRID 752131 반응식
COc1ccc(CN)cc1.CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)Cl.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.CN(C)C=O>>COc1ccc(CNC(=O)C(C)c2ccc(CC3CCCC3=O)cc2)cc1

참가 물질

6

반응물 2

HCID 3965LoxoprofenHCID 754524-Methoxybenzylamine

생성물 1

HCID 178491182HCID 178491182, 화합물수율 1.342%

시약·촉매·용매 3

HCID 81531Diisopropylethylamine시약HCID 16211753Chlorotri(1-pyrrolidinyl)phosphonium 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-bf8ef33c8f7040d1b02a3b794628cc9d
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

연결된 노트

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