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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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3-Bromoquinoline → HCID 178519901, 화합물

HRID 918711
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인쇄 미리보기

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HRID 918711 반응식
Brc1cnc2ccccc2c1.OCc1cocn1>Cl[Pd]Cl.Clc1cccnc1.CC(C)c2cccc(C(C)C)c2N3CN(C=C3)c4c(cccc4C(C)C)C(C)C.C(=O)([O-])[O-].[Cs+].[Cs+].C1COCCO1.[Cu]Br.CSC>OCc1coc(-c2cnc3ccccc3c2)n1.OCc1ncoc1-c1cnc2ccccc2c1.OCc1nc(-c2cnc3ccccc3c2)oc1-c1cnc2ccccc2c1
참가 물질반응 조건실험 절차후처리출처 및 근거반응 노트

참가 물질

9

반응물 2

HCID 214133-BromoquinolineHCID 159305781,3-Oxazol-4-ylmethanol

생성물 3

HCID 178519901HCID 178519901, 화합물HCID 178519952HCID 178519952, 화합물HCID 178520002HCID 178520002, 화합물

시약·촉매·용매 4

HCID 10796Cesium carbonate시약HCID 2724234Bromo(thiobis(methane))copper

반응 조건

온도
100 °C

실험 절차

- reaction input `pd_catalyst` was added as a solution (2-methyltetrahydrofuran 1 mmol/L) and then the solvent was removed to leave solid solute before adding other reactants/reagents; - stirrer was added after `pd_catalyst` and before `base`; - reaction inputs were prepared inside a glove box but the reaction itself did not happen in a glove box; - the reaction vial was sealed after adding all reaction inputs

후처리

  1. temperatureThe reactions were then allowed to cool to room temperature
  2. additionEach reaction vial was diluted with 500 uL of a pre-prepared solution consisting of 1 umol dibenzylaniline (labelled as an internal standard for the purposes of PyParse analysis) and 20 umol dimethylsulfoxide in acetonitrile.
  3. stirringThe reactions were sealed and shaken to ensure a homogenous mixture.
  4. aliquot50 uL of each reaction mixture was then aspirated and dispensed to the analysis plate.
  5. additionEach well of the analysis plate was diluted with 150 uL of dimethylsulfoxide, and the analysis plate was sealed with polypropylene film.

출처 및 근거

ORD 기록
ord-779d9cad8bd84b3d96432eb1e713fc1a
출처 데이터셋
C-H activation of oxazoles from the second demo case in the PyParser paper
DOI
10.1039/d3dd00167a

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촉매
HCID 16218181Dichloro-[1,3-bis(diisopropylphenyl)-2-imidazolidinyliden]-(3-chloropyridyl)palladium(II)촉매
HCID 312751,4-Dioxane용매3회