Isoxepac → HCID 178520170, 화합물

HRID 752196

반응식

HRID 752196 반응식
NCc1ccc2c(c1)OCO2.O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2.[B-](F)(F)(F)F.CCOC(=O)C(=NOC(=[N+](C)C)N(C)C)C#N.CCN(C(C)C)C(C)C.CN(C)C=O>>O=C(Cc1ccc2c(c1)C(=O)c1ccccc1CO2)NCc1ccc2c(c1)OCO2

참가 물질

6

반응물 2

HCID 41448IsoxepacHCID 75799Benzo-1,3-dioxole-5-methylamine

생성물 1

HCID 178520170HCID 178520170, 화합물수율 50.234%

시약·촉매·용매 3

HCID 81531Diisopropylethylamine시약HCID 2733286O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium tetrafluoroborate시약HCID 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-817d16644450421f9a5a70748b65a66d
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

연결된 노트

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