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Chlorine → HCID 178427103, 화합물

HRID 2053850
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HRID 2053850 반응식
[CH3:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[C:11]([N:13]1[CH2:17][CH2:16][CH2:15][CH2:14]1)=[O:12])[C:5]([OH:7])=O.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.C(N(C(C)C)CC)(C)C.[C:49]([O:53][C:54]([NH:56][CH2:57][CH:58]([NH2:69])[C:59]1[NH:63][C:62]2[CH:64]=[CH:65][C:66]([Cl:68])=[CH:67][C:61]=2[N:60]=1)=[O:55])([CH3:52])([CH3:51])[CH3:50].ClCl>O1CCCC1.C1CCCCC1.C(O)C>[C:49]([O:53][C:54]([NH:56][CH2:57][CH:58]([NH:69][C:5](=[O:7])[C:4]1[CH:8]=[CH:9][C:10]([C:11]([N:13]2[CH2:17][CH2:16][CH2:15][CH2:14]2)=[O:12])=[C:2]([CH3:1])[CH:3]=1)[C:59]1[NH:63][C:62]2[CH:64]=[CH:65][C:66]([Cl:68])=[CH:67][C:61]=2[N:60]=1)=[O:55])([CH3:52])([CH3:50])[CH3:51]
참가 물질실험 절차출처 및 근거반응 노트

참가 물질

8

반응물 5

HCID 24526Chlorine2회HCID 81531DiisopropylethylamineHCID 2733207O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborateHCID 120686863-Methyl 4-(pyrrolidin-1-ylcarbonyl)benzoic acidHCID 178453674HCID 178453674, 화합물

생성물 1

HCID 178427103HCID 178427103, 화합물
수율 64%

시약·촉매·용매 2

HCID 8028Tetrahydrofuran용매HCID 21585052HCID 21585052, 화합물용매

실험 절차

Prepared analogously to Example 1g from 3-methyl-4-(pyrrolidin-1-ylcarbonyl)benzoic acid, TBTU, diisopropylethylamine, and 2-tert-butoxycarbonylamino-1-(5-chloro-1H-benzimidazol-2-yl)ethylamine in tetrahydrofuran. Yield: 64%; Rf value: 0.67 (silica gel; cyclohexane/ethanol=7:3); C27H32ClN5O4 (526.03); mass spectrum: (M+H)+=526/528 (chlorine isotope) and (M−H)−=524/526 (chlorine isotope).

출처 및 근거

ORD 기록
ord-9325eb540cb24375bf01f6e71602d5af
출처 데이터셋
uspto-grants-2008_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07326791B2

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