HRID2054033

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

HCID21584144

Dichloromethane ethanol

C3H8Cl2O

HCID69309740

未命名化合物

HCID178503691

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(c1ccc(C(=O)N[C@@H](c2nc3cc(Cl)ccc3[nH]2)C(C)S)cc1C)C1CCCC1

HCID178474226

未命名化合物

收率 9%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8028

Tetrahydrofuran

C4H8O

PROCEDURE

实验过程

Prepared analogously to Example 1g from 4-(N-acetyl-N-cyclopentylamino)-3-methylbenzoic acid, TBTU, diisopropylethylamine, and (1S)-1-(5-chloro-1H-benzimidazol-2-yl)-3-methylsulfanylpropylamine in tetrahydrofuran. Yield: 9%; Rf value: 0.68 (silica gel: dichloromethane/ethanol=9:1); C26H31ClN4O2S (499.076); mass spectrum: (M+H)+=499/501 (chlorine isotope) and (M−H)−=497/499 (chlorine isotope).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efe966ea45b0419fa8eb577d7fdff2c3
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

[C:1]([N:4]([C:10]1[CH:18]=[CH:17][C:13]([C:14]([OH:16])=O)=[CH:12][C:11]=1[CH3:19])[CH:5]1[CH2:9][CH2:8][CH2:7][CH2:6]1)(=[O:3])[CH3:2].CN(C(O[N:28]1N=[N:35][C:30]2[CH:31]=C[CH:33]=[CH:34][C:29]1=2)=[N+](C)C)C.[B-](F)(F)(F)F.C([N:45](C(C)C)CC)(C)C.ClC1C=CC2NC([C@@H](N)[CH2:60][CH2:61][S:62]C)=NC=2C=1.ClCl.Cl[CH2:70][Cl:71].[CH2:72](O)[CH3:73]>O1CCCC1>[C:1]([N:4]([C:10]1[CH:18]=[CH:17][C:13]([C:14]([NH:45][C@@H:72]([C:73]2[NH:28][C:29]3[CH:34]=[CH:33][C:70]([Cl:71])=[CH:31][C:30]=3[N:35]=2)[CH:61]([SH:62])[CH3:60])=[O:16])=[CH:12][C:11]=1[CH3:19])[CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9]1)(=[O:3])[CH3:2]