HRID2053894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24526

Chlorine

Cl2

2 次

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(C)C(On1nnc2ccccc21)=[N+](C)C.F[B-](F)(F)F

HCID2733207

O-(Benzotriazol-1-yl)-N,N,N′,N′-tetramethyluronium tetrafluoroborate

C11H16BF4N5O

HCID12068686

未命名化合物

结构：NC(CCNC(=O)OCc1ccccc1)c1nc2cc(Cl)ccc2[nH]1

HCID178511137

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N[C@@H](CCNC(=O)OCc2ccccc2)c2nc3cc(Cl)ccc3[nH]2)ccc1C(=O)N1CCCC1

HCID178427189

未命名化合物

收率 87%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8028

Tetrahydrofuran

C4H8O

溶剂HCID21226129

未命名化合物

PROCEDURE

实验过程

Prepared analogously to Example 1g from 3-methyl-4-(pyrrolidin-1-ylcarbonyl)benzoic acid, TBTU, diisopropylethylamine, and (1S)-[3-(benzyloxycarbonylamino)-1-(5-chloro-1H-benzimidazol-2-yl)propylamine in tetrahydrofuran. Yield: 87%; Rf value: 0.50 (silica gel; dichloromethane/methanol=9:1); C31H32ClN5O4 (574.08); mass spectrum: (M+H)+=574/576 (chlorine isotope) and (M−H)−=572/574 (chlorine isotope).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-122313af46ce4ef4a293c9324b896b90
来源数据集: uspto-grants-2008_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07326791B2
来源说明: uspto-grants-2008_02

反应 SMILES

[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.[CH2:49]([O:56][C:57]([NH:59][CH2:60][CH2:61][CH:62]([NH2:73])[C:63]1[NH:67][C:66]2[CH:68]=[CH:69][C:70]([Cl:72])=[CH:71][C:65]=2[N:64]=1)=[O:58])[C:50]1[CH:55]=[CH:54][CH:53]=[CH:52][CH:51]=1.ClCl>O1CCCC1.ClCCl.CO>[CH2:49]([O:56][C:57]([NH:59][CH2:60][CH2:61][C@H:62]([NH:73][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:63]1[NH:67][C:66]2[CH:68]=[CH:69][C:70]([Cl:72])=[CH:71][C:65]=2[N:64]=1)=[O:58])[C:50]1[CH:51]=[CH:52][CH:53]=[CH:54][CH:55]=1