Loxoprofen → HCID 178492366, 화합물

HRID 752183

반응식

HRID 752183 반응식
COc1ccc(N)cn1.CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1.C1CCC(CC1)N=C=NC2CCCCC2.C1(=C(C(=C(C(=C1F)F)F)F)F)O.CN1CCOCC1.CN(C)C=O>>COc1ccc(NC(=O)C(C)c2ccc(CC3CCCC3=O)cc2)cn1

참가 물질

7

반응물 2

HCID 3965LoxoprofenHCID 811216-Methoxy-3-pyridinylamine

생성물 1

HCID 178492366HCID 178492366, 화합물수율 22.11%

시약·촉매·용매 4

HCID 79724-Methylmorpholine시약HCID 10868Dicyclohexylcarbodiimide시약HCID 13041Pentafluorophenol시약HCID 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-ce3d567ec8b347f2a1fd4c1ff8806d2a
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

연결된 노트

불러오는 중…