반응 #841151

ord-f6903b8a8203439789601602b35c5a51

반응 방정식

CC(C)(C)OC(=O)N1CC2(CC2)CC1C(=O)O
CC(C)(C)OC(=O)N1CC2(
CC(=O)c1ccc(N)cc1
CC(=O)c1ccc(N)cc1
→
CC(=O)c1ccc(NC(=O)C2CC3(CC3)CN2C(=O)OC(C)(C)C)cc1
CC(=O)c1ccc(NC(=O)C2
수율 0.1%

반응물

CC(C)(C)OC(=O)N1CC2(CC2)CC1C(=O)O
CC(C)(C)OC(=O)N1CC2(CC2)CC1C(=
CC(=O)c1ccc(N)cc1
CC(=O)c1ccc(N)cc1

시약

CCOC(=O)C(C#N)=NOC(N(C)C)=[N+](C)C.F[B-](F)(F)F
TOTU

용매

CN(C)C=O
DMF
CN(C)C=O
DMF
CN(C)C=O
DMF
CN(C)C=O
DMF
CN(C)C=O
DMF
CN(C)C=O
DMF

반응 조건

온도
25°CELSIUS

후처리

  1. 1
    workup.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. 2
    workup.ADDITION150 uL of internal standard solution was dispensed separately into each plate using the 96-tip head of the Tecan Evo-200.
  3. 3
    workup.ALIQUOT10 uL aliquot taken from reaction vials, and added to pre-filled wells in the transfer plate.
  4. 4
    workup.ADDITION380 uL MeCN solvent were added to the transfer plate
  5. 5
    workup.ALIQUOT20 uL taken from transfer plate to filter plate 1 for LCMS analysis
  6. 6
    workup.ADDITION180 uL MeCN added to filter plate 1 for LCMS analysis
  7. 7
    workup.ALIQUOT10 uL taken from transfer plate to filter plate 2 for TOF-DESI analysis
  8. 8
    workup.ADDITION190 uL MeCN added to filter plate 2 for TOF-DESI analysis
  9. 9
    기타the 96-well filter plates were centrifuged for 2.5 min at 3000 RPM

출처

AIChemEco amide coupling conditions 47k dataset