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4-Bromo-2-nitroanisole → 1-(7-(4-Methoxy-3-nitrophenyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone

HRID 92
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인쇄 미리보기

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HRID 92 반응식
CC(=O)N1CC2CNCC(C1)O2.COc1ccc(Br)cc1[N+](=O)[O-]>C1COCCO1.CC(=O)O.CC(=O)O.CC(C)(C)[O-].CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.[Na+].[Pd]>COc1ccc(N2CC3CN(C(C)=O)CC(C2)O3)cc1[N+](=O)[O-]
참가 물질반응 조건실험 절차출처 및 근거반응 노트

참가 물질

7

반응물 2

HCID 1185334-Bromo-2-nitroanisoleHCID 685927281-(9-Oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethan-1-one

생성물 1

HCID 685929871-(7-(4-Methoxy-3-nitrophenyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone수율 0%

시약·촉매·용매 4

HCID 23676156Sodium t-butoxide시약HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)촉매

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온도
110 °C

실험 절차

1-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)ethanone (36.3 mg, 0.21 mmol), 4-bromo-1-methoxy-2-nitrobenzene (45 mg, 0.19 mmol), diacetoxypalladium (3.48 mg, 0.02 mmol), (9,9-dimethyl-9H-xanthene-4,5-diyl)bis(diphenylphosphine) (8.98 mg, 0.02 mmol) and sodium 2-methylpropan-2-olate (28.0 mg, 0.29 mmol) in dioxane (0.5 mL) were degassed with nitrogen and stirred at 110 °C for 4 hours => _some product formed, by-products are major + degradation_ **_ABANDONED_**

출처 및 근거

ORD 기록
ord-089e5915f1ae4e9e8fd817c5c0f3bd24
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
출처 보기

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이 페이지에서참가 물질반응 조건실험 절차출처 및 근거반응 노트
HCID 4144353
Palladium (II) acetate
촉매
HCID 312751,4-Dioxane용매