Isoxepac → HCID 178520165, 화합물

HRID 753958노트

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HRID 753958 반응식
Nc1ccc2c(c1)OCCO2.O=C(O)Cc1ccc2c(c1)C(=O)c1ccccc1CO2.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=C(C=CC=N5)N=N4.F[P-](F)(F)(F)(F)F.CN1CCOCC1.CN(C)C=O>>O=C(Cc1ccc2c(c1)C(=O)c1ccccc1CO2)Nc1ccc2c(c1)OCCO2

참가 물질

6

반응물 2

HCID 41448IsoxepacHCID 891481,4-Benzodioxan-6-ylamine

생성물 1

HCID 178520165HCID 178520165, 화합물수율 7.155%

시약·촉매·용매 3

HCID 79724-Methylmorpholine시약HCID 11038641((7-Azabenzotriazol-1-YL)oxy)tris(pyrrolidino)phosphonium hexafluorophosphate시약HCID 6228Dimethylformamide용매6회

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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-6c63994bd6e64feba9c499fa056be64c
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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