HRID2054051

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

结构：Cc1nn(-c2ccc(C(=O)O)cc2C(F)(F)F)c2c1CCC2

HCID69312558

未命名化合物

HCID178461859

未命名化合物

PRODUCTS

生成物

结构：Cc1nn(-c2ccc(C(=O)N[C@@H](C)c3nc4cc(Cl)ccc4[nH]3)cc2C(F)(F)F)c2c1CCC2

HCID178433904

未命名化合物

收率 47%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8028

Tetrahydrofuran

C4H8O

溶剂HCID21584144

Dichloromethane ethanol

C3H8Cl2O

PROCEDURE

实验过程

Prepared analogously to Example 1g from 4-(3-methyl-5,6-dihydro-4H-cyclopentapyrazol-1-yl)-3-trifluoromethylbenzoic acid, TBTU, diisopropylethylamine, and (1S)-1-(5-chloro-1H-benzimidazol-2-yl)ethylamine in tetrahydrofuran. Yield: 47%; Rf value: 0.30 (silica gel: dichloromethane/ethanol=9:1); C24H21ClF3N5O (487.911); mass spectrum: (M+H)+=488/490 (chlorine isotope) and (M−H)−=487/489 (chlorine isotope).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a4ea01bbc6e2439b9ffdbfebd283351b
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[C:6]2[CH2:7][CH2:8][CH2:9][C:5]=2[N:4]([C:10]2[CH:18]=[CH:17][C:13]([C:14](O)=[O:15])=[CH:12][C:11]=2[C:19]([F:22])([F:21])[F:20])[N:3]=1.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:54][C:55]1[CH:66]=[CH:65][C:58]2[NH:59][C:60]([C@@H:62]([NH2:64])[CH3:63])=[N:61][C:57]=2[CH:56]=1.ClCl>O1CCCC1.ClCCl.C(O)C>[Cl:54][C:55]1[CH:66]=[CH:65][C:58]2[NH:59][C:60]([C@@H:62]([NH:64][C:14](=[O:15])[C:13]3[CH:17]=[CH:18][C:10]([N:4]4[C:5]5[CH2:9][CH2:8][CH2:7][C:6]=5[C:2]([CH3:1])=[N:3]4)=[C:11]([C:19]([F:20])([F:21])[F:22])[CH:12]=3)[CH3:63])=[N:61][C:57]=2[CH:56]=1