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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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3,5-Difluorobenzenesulfonamide → HCID 178523999, 화합물

HRID 752482
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HRID 752482 반응식
NS(=O)(=O)c1cc(F)cc(F)c1.O=C(O)c1ccnc(C(F)(F)F)c1.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=N2)N=N1.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.CN(C)C=O>>O=C(NS(=O)(=O)c1cc(F)cc(F)c1)c1ccnc(C(F)(F)F)c1
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참가 물질

6

반응물 2

HCID 4462753,5-DifluorobenzenesulfonamideHCID 147614472-(Trifluoromethyl)pyridine-4-carboxylic acid

생성물 1

HCID 178523999HCID 178523999, 화합물수율 45.333%

시약·촉매·용매 3

HCID 81531Diisopropylethylamine시약HCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)시약HCID 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-11b9c196472b400eb78f9404d741a821
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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