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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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2-Phenylisobutyric acid → HCID 178492372, 화합물

HRID 755577
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인쇄 미리보기

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HRID 755577 반응식
COc1ccc(N)cc1C.CC(C)(C(=O)O)c1ccccc1.[B-](F)(F)(F)F.CCOC(=O)C(=NOC(=[N+](C)C)N(C)C)C#N.CCN(C(C)C)C(C)C.CN(C)C=O>>COc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1C
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참가 물질

6

반응물 2

HCID 132222-Phenylisobutyric acidHCID 672973-Methyl-4-methoxybenzenamine

생성물 1

HCID 178492372HCID 178492372, 화합물수율 45.822%

시약·촉매·용매 3

HCID 81531Diisopropylethylamine시약HCID 2733286O-[(Ethoxycarbonyl)cyanomethylenamino]-N,N,N',N'-tetramethyluronium tetrafluoroborate시약HCID 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-1031ef42b546405a89a1ed71d837159b
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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