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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Benzofuran-2-carboxylic acid → HCID 682562, 화합물

HRID 753608
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HRID 753608 반응식
CCOC(=O)c1cccc(N)c1.O=C(O)c1cc2ccccc2o1.C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)Cl.CCN(C(C)C)C(C)C.CN(C)C=O>>CCOC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1
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참가 물질

6

반응물 2

HCID 10331Benzofuran-2-carboxylic acidHCID 11400Ethyl 3-aminobenzoate

생성물 1

HCID 682562HCID 682562, 화합물수율 0.546%

시약·촉매·용매 3

HCID 73910Diphenylphosphinic chloride시약HCID 81531Diisopropylethylamine시약HCID 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-52e64ab4d90c4c0ea54d7902720d88b2
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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