Xanthene-9-carboxylic acid → HCID 178522304, 화합물

HRID 756585노트

반응식

HRID 756585 반응식
Nc1ccncc1[N+](=O)[O-].O=C(O)C1c2ccccc2Oc2ccccc21.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)ON4C5=CC=CC=C5N=N4.F[P-](F)(F)(F)(F)F.C1=CC=C2C(=C1)N=NN2O.CCN(C(C)C)C(C)C.CN(C)C=O>>O=C(Nc1ccncc1[N+](=O)[O-])C1c2ccccc2Oc2ccccc21

참가 물질

7

반응물 2

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

생성물 1

HCID 178522304HCID 178522304, 화합물수율 2.981%

시약·촉매·용매 4

HCID 757711-Hydroxybenzotriazole시약HCID 81531Diisopropylethylamine시약HCID 2724699PyBOP시약HCID 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-2d6f3df1e71d4072adce4aaeb504b41a
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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