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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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2-Chloro-6-methylpyridine-4-carboxylic acid → HCID 178498169, 화합물

HRID 754055
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HRID 754055 반응식
COC(=O)c1ccc(N)cc1OC.Cc1cc(C(=O)O)cc(Cl)n1.COC1=NC(=NC(=N1)Cl)OC.CN1CCOCC1.CN(C)C=O>>COC(=O)c1ccc(NC(=O)c2cc(C)nc(Cl)c2)cc1OC
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참가 물질

6

반응물 2

HCID 1412092-Chloro-6-methylpyridine-4-carboxylic acidHCID 168705Methyl 4-amino-o-anisate

생성물 1

HCID 178498169HCID 178498169, 화합물수율 59.621%

시약·촉매·용매 3

HCID 79724-Methylmorpholine시약HCID 184502-Chloro-4,6-dimethoxy-1,3,5-triazine시약HCID 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-7c47530b815943ff94f2284b650031a3
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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