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Chlorine → HCID 178503697, 화합물

HRID 2053907
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HRID 2053907 반응식
[Cl: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.[Cl:49][C:50]1[CH:64]=[CH:63][C:53]2[NH:54][C:55]([C@@H:57]([NH2:62])[CH2:58][CH2:59][S:60][CH3:61])=[N:56][C:52]=2[CH:51]=1.ClCl>O1CCCC1.ClCCl.C(O)C>[Cl: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]([NH:62][C@H:57]([C:55]1[NH:54][C:53]2[CH:63]=[CH:64][C:50]([Cl:49])=[CH:51][C:52]=2[N:56]=1)[CH2:58][CH2:59][S:60][CH3:61])=[O:7]
참가 물질실험 절차출처 및 근거반응 노트

참가 물질

8

반응물 5

HCID 24526ChlorineHCID 81531DiisopropylethylamineHCID 2733207O-(Benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborateHCID 693151443-Chloro-4-(pyrrolidin-1-ylcarbonyl)benzoic acidHCID 178503691(S)-1-(5-chloro-1H-benzimidazol-2-yl)-3-methylsulfanylpropylamine

생성물 1

HCID 178503697
HCID 178503697, 화합물
수율 62%

시약·촉매·용매 2

HCID 8028Tetrahydrofuran용매HCID 21584144Dichloromethane ethanol용매

실험 절차

Prepared analogously to Example 1g from 3-chloro-4-(pyrrolidin-1-ylcarbonyl)benzoic acid, TBTU, diisopropylethylamine, and (S)-1-(5-chloro-1H-benzimidazol-2-yl)-3-(methyl-sulfanyl)propylamine in tetrahydrofuran. Yield: 62%; Rf value: 0.50 (silica gel; dichloromethane/ethanol=9:1); C23H24Cl2N4O2S (491.44); mass spectrum: (M+H)+=391/393/395 (chlorine isotope).

출처 및 근거

ORD 기록
ord-afed6041c46642bfab10f8d81d5b844d
출처 데이터셋
uspto-grants-2008_02
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US07326791B2

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