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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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3-methoxy-4-(4-methyl-1H-imidazol-1-yl)aniline → N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-4-methyl-2-(pyridin-3-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine

HRID 12
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HRID 12 반응식
CN1Cc2ccc(Cl)nc2OC(c2cccnc2)C1.COc1cc(N)ccc1-n1cnc(C)c1>CC(=O)O.CC(=O)O.COCCOC.O=C([O-])[O-].[Cs+].[Cs+].[Pd].c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1>COc1cc(Nc2ccc3c(n2)OC(c2cccnc2)CN(C)C3)ccc1-n1cnc(C)c1
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참가 물질

7

반응물 2

HCID 454801813-methoxy-4-(4-methyl-1H-imidazol-1-yl)anilineHCID 595778128-Chloro-4-methyl-2-(pyridin-3-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepine

생성물 1

HCID 49821014N-(3-methoxy-4-(4-methyl-1H-imidazol-1-yl)phenyl)-4-methyl-2-(pyridin-3-yl)-2,3,4,5-tetrahydropyrido[3,2-f][1,4]oxazepin-8-amine수율 27.8%

시약·촉매·용매 4

HCID 10796Cesium carbonate시약
HCID 2734216
2-(Dicyclohexylphosphino)biphenyl
촉매
HCID 4144353Palladium (II) acetate촉매
HCID 80711,2-Dimethoxyethane용매

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온도
100 °C

실험 절차

[Reactants], Palladium(II) acetate (5.29 mg, 0.02 mmol), 2-(Dicyclohexylphosphino)biphenyl (8.26 mg, 0.02 mmol) and Cesium carbonate (0.230 g, 0.71 mmol) were placed in a microwave vial and flushed with argon. DME (2 mL) was added and the reaction mixture was run in the microwave at 100°C for 60 minutes. Reaction not complete. Added 0.1 eq of Palladium(II) acetate (5.29 mg, 0.02 mmol) and 0.1 eq of 2-(Dicyclohexylphosphino)biphenyl (8.26 mg, 0.02 mmol) and flushed with argon. Run in the microwave at 100°C for 60 minutes and the reaction was complete. The reaction mixture was filtrated through celite and concentrated. The crude product was purified by prep-HPLC. The solvent was evaporated and partitioned between sat. NaHCO3 and dichloromethane. The organic layer was separated, dried (MgSO4) and concentrated giving 0.029 g (28%) of the product.

출처 및 근거

ORD 기록
ord-373fd601db1247b0b18c34bca387c3a4
출처 데이터셋
750 AstraZeneca ELN dataset
원본 링크
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