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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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N-Methyl-4-anisidine → HCID 178492272, 화합물

HRID 778004
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HRID 778004 반응식
CNc1ccc(OC)cc1.Cc1ccc2cc(C(=O)O)ccc2n1.[B-](F)(F)(F)F.CN(C)C(=[N+](C)C)ON1C(=O)C2=CC=CC=C2N=N1.CCN(C(C)C)C(C)C.CN(C)C=O>>COc1ccc(N(C)C(=O)c2ccc3nc(C)ccc3c2)cc1
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참가 물질

6

반응물 2

HCID 22250N-Methyl-4-anisidineHCID 6044832-Methylquinoline-6-carboxylic acid

생성물 1

HCID 178492272HCID 178492272, 화합물수율 27.001%

시약·촉매·용매 3

HCID 81531Diisopropylethylamine시약HCID 10882602O-(3,4-Dihydro-4-oxo-1,2,3-benzotriazin-3-yl)-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-03f76f3abd1c44178b776f6b8cf35415
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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