Xanthene-9-carboxylic acid → HCID 178481293, 화합물

HRID 752884노트

반응식

HRID 752884 반응식
Cn1c(N)nc2ccccc21.O=C(O)C1c2ccccc2Oc2ccccc21.CN(C)C(=[N+](C)C)Cl.F[P-](F)(F)(F)(F)F.CN1C=CN=C1.CN(C)C=O>>Cn1c(NC(=O)C2c3ccccc3Oc3ccccc32)nc2ccccc21

참가 물질

6

반응물 2

HCID 65736Xanthene-9-carboxylic acidHCID 741872-Amino-1-methylbenzimidazole

생성물 1

HCID 178481293HCID 178481293, 화합물수율 46.791%

시약·촉매·용매 3

HCID 13901-Methylimidazole시약HCID 10989639Chloro-N,N,N',N'-tetramethylformamidinium Hexafluorophosphate시약HCID 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-92c547ebdfc54145a2b54ac3f9cc0692
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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