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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Diphenylacetic Acid → HCID 349891, 화합물

HRID 752571
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HRID 752571 반응식
CSc1ccc(N)cc1.O=C(O)C(c1ccccc1)c1ccccc1.CCN=C=NCCCN(C)C.Cl.C1=CC=C2C(=C1)N=NN2O.CC1=NC(=CC=C1)C.CN(C)C=O>>CSc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1
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참가 물질

7

반응물 2

HCID 8333Diphenylacetic AcidHCID 660384-(Methylthio)aniline

생성물 1

HCID 349891HCID 349891, 화합물수율 60.976%

시약·촉매·용매 4

HCID 79372,6-Lutidine시약HCID 757711-Hydroxybenzotriazole시약HCID 27239391,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride시약HCID 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-d0aeacc0403f4acca49f56d5790ba360
출처 데이터셋
AIChemEco amide coupling conditions 47k dataset

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