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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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2-[(2-Chloroethyl)sulfanyl]acetic acid → N-[[(3S,3aS)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-3-yl]methyl]-2-(2-chloroethylsulfanyl)acetamide

HRID 1050210
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HRID 1050210 반응식
[Cl:1][CH2:2][CH2:3][S:4][CH2:5][C:6]([OH:8])=O.[NH2:9][CH2:10][C@H:11]1[C@H:19]2[N:14]([C:15]3[CH:23]=[CH:22][C:21]([N:24]4[CH2:29][CH2:28][O:27][CH2:26][C:25]4=[O:30])=[CH:20][C:16]=3[O:17][CH2:18]2)[C:13](=[O:31])[O:12]1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F>>[Cl:1][CH2:2][CH2:3][S:4][CH2:5][C:6]([NH:9][CH2:10][C@H:11]1[C@H:19]2[N:14]([C:15]3[CH:23]=[CH:22][C:21]([N:24]4[CH2:29][CH2:28][O:27][CH2:26][C:25]4=[O:30])=[CH:20][C:16]=3[O:17][CH2:18]2)[C:13](=[O:31])[O:12]1)=[O:8]
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참가 물질

4

반응물 3

HCID 2302472-[(2-Chloroethyl)sulfanyl]acetic acidHCID 9886157Methanaminium, N-((dimethylamino)(3H-1,2,3-triazolo(4,5-b)pyridin-3-yloxy)methylene)-N-methyl-, hexafluorophosphate(1-) (1:1)HCID 90295505HCID 90295505, 화합물

생성물 1

HCID 118519612N-[[(3S,3aS)-1-oxo-7-(3-oxomorpholin-4-yl)-3a,4-dihydro-3H-[1,3]oxazolo[4,3-c][1,4]benzoxazin-3-yl]methyl]-2-(2-chloroethylsulfanyl)acetamide수율 61.3%

실험 절차

Using compound 2-((2-chloroethyl)thio) acetic acid (58 mg, 0.377 mmol), compound (3S,3aS)-3-aminomethyl-7-(3-oxomorpholin-4-yl)-3a,4-dihydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-1 (3H)-one (the product of step (e) in Example 1) (80 mg, 0.251 mmol), TEA (76.2 mg, 0.753 mmol), and HATU (171 mg, 0.452 mmol) as starting materials, preparation following the method as described in Example 11 (g) afforded white solid 70 mg, yield 61.3%.

후처리

  1. custommaterials, preparation

출처 및 근거

ORD 기록
ord-2f5ed4ca873249018ffbbf40424b320c
출처 데이터셋
uspto-grants-2016_07
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09382265B2

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