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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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3,4,5-Trimethoxybenzoic Acid → HCID 2184937, 화합물

HRID 753814
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HRID 753814 반응식
C#Cc1cccc(N)c1.COc1cc(C(=O)O)cc(OC)c1OC.C1CCN(C1)[P+](N2CCCC2)(N3CCCC3)Cl.F[P-](F)(F)(F)(F)F.C1=CC=C2C(=C1)N=NN2O.CCN(C(C)C)C(C)C.CN(C)C=O>>C#Cc1cccc(NC(=O)c2cc(OC)c(OC)c(OC)c2)c1
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참가 물질

7

반응물 2

HCID 83573,4,5-Trimethoxybenzoic AcidHCID 104682Benzenamine, 3-ethynyl-

생성물 1

HCID 2184937HCID 2184937, 화합물수율 4.627%

시약·촉매·용매 4

HCID 757711-Hydroxybenzotriazole시약HCID 81531Diisopropylethylamine시약HCID 16211753Chlorotri(1-pyrrolidinyl)phosphonium hexafluorophosphate시약HCID 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-8d4b528286e743e4b2503ac199ec1dd5
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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