3-methoxy-4-(4-methyl-1H-imidazol-1-yl)aniline → (R)-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-6-methyl-8-phenyl-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-2-amine

HRID 274

반응식

HRID 274 반응식
CN1Cc2cnc(Cl)nc2O[C@H](c2ccccc2)C1.COc1cc(N)ccc1-n1cnc(C)c1>C1COCCO1.CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C([O-])[O-].[Cs+].[Cs+].[Pd].[Pd]>COc1cc(Nc2ncc3c(n2)O[C@H](c2ccccc2)CN(C)C3)ccc1-n1cnc(C)c1

참가 물질

7

반응물 2

HCID 454801813-methoxy-4-(4-methyl-1H-imidazol-1-yl)anilineHCID 59577867(R)-2-chloro-6-methyl-8-phenyl-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepine

생성물 1

HCID 49820859(R)-N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-6-methyl-8-phenyl-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepin-2-amine수율 0%

시약·촉매·용매 4

HCID 10796Cesium carbonate시약HCID 6360441,1'-(9,9-Dimethyl-9H-xanthene-4,5-diyl)bis(1,1-diphenylphosphine)촉매HCID 9811564Bis(dibenzylideneacetone)palladium촉매HCID 312751,4-Dioxane용매

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온도
130 °C

실험 절차

The aim is optimization. (R)-2-chloro-6-methyl-8-phenyl-5,6,7,8-tetrahydropyrimido[5,4-f][1,4]oxazepine (30 mg, 0.11 mmol), 3-methoxy-4-(4-methyl-1H-imidazol-1-yl)aniline (22.11 mg, 0.11 mmol), Cesium carbonate (53.2 mg, 0.16 mmol), [Reactants] and 9,9-Dimethyl-4,5-bis(diphenylphosphino)xanthene (12.59 mg, 0.02 mmol) were added to a microwave vial then dioxane (1 mL) was added. The reaction mixture was flushed with nitrogen and then heated at 130°C for 45 min in a MW. Small amount of product, quite messy. Abandoned.

출처 및 근거

ORD 기록
ord-71ed8e3015a64fa5b6ac3b0bc984c3fc
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
출처 보기

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