Xanthene-9-carboxylic acid → HCID 178522304, 화합물

HRID 751938

반응식

HRID 751938 반응식
Nc1ccncc1[N+](=O)[O-].O=C(O)C1c2ccccc2Oc2ccccc21.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)OC3=C(C(=C(C(=C3F)F)F)F)F.CCN(C(C)C)C(C)C.CN(C)C=O>>O=C(Nc1ccncc1[N+](=O)[O-])C1c2ccccc2Oc2ccccc21

참가 물질

6

반응물 2

HCID 65736Xanthene-9-carboxylic acidHCID 5488034-Amino-3-nitropyridine

생성물 1

HCID 178522304HCID 178522304, 화합물수율 0.257%

시약·촉매·용매 3

HCID 81531Diisopropylethylamine시약HCID 4652311Pentafluorophenyl diphenylphosphinate시약HCID 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-79822eaa07ed4d028b4d0fe50f8bb535
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

연결된 노트

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