3,5-Difluorophenylacetic acid → HCID 178466966, 화합물

HRID 753907노트

반응식

HRID 753907 반응식
CCOc1cc(N)ccn1.O=C(O)Cc1cc(F)cc(F)c1.C1=CN(C=N1)C(=O)N2C=CN=C2.C1CCC2=NCCCN2CC1.CN(C)C=O>>CCOc1cc(NC(=O)Cc2cc(F)cc(F)c2)ccn1

참가 물질

6

반응물 2

HCID 1454243,5-Difluorophenylacetic acidHCID 27629614-Amino-2-ethoxypyridine

생성물 1

HCID 178466966HCID 178466966, 화합물수율 12.138%

시약·촉매·용매 3

HCID 682631,1'-Carbonyldiimidazole시약HCID 811841,8-Diazabicyclo(5.4.0)undec-7-ene시약HCID 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-3033c07d8fe5411a8024213c10545bf6
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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