HRID551214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID67048526

未命名化合物

结构：N[C@@H](CCc1nnn[nH]1)c1nc2cc(Cl)ccc2[nH]1

HCID178511819

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)N[C@@H](CCc2nnn[nH]2)c2nc3cc(Cl)ccc3[nH]2)ccc1N1CCOCC1=O

HCID178427158

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8028

Tetrahydrofuran

C4H8O

PROCEDURE

实验过程

Prepared analogously to Example 1f from 3-methyl-4-(morpholin-3-on-4-yl)benzoic acid, (1S)-1-(5-chloro-1H-benzimidazol-2-yl)-3-(1H-tetrazol-5-yl)propylamine, TBTU and DIPEA in THF with subsequent purification by chromatography on silica gel.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4738f418a8e042089a006f4dccee8e1e
来源数据集: uspto-grants-2011_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07947700B2
来源说明: uspto-grants-2011_05

反应 SMILES

[CH3:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[N:11]1[CH2:16][CH2:15][O:14][CH2:13][C:12]1=[O:17])[C:5]([OH:7])=O.[Cl:18][C:19]1[CH:36]=[CH:35][C:22]2[NH:23][C:24]([C@@H:26]([NH2:34])[CH2:27][CH2:28][C:29]3[NH:33][N:32]=[N:31][N:30]=3)=[N:25][C:21]=2[CH:20]=1.CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.[B-](F)(F)(F)F.CCN(C(C)C)C(C)C>C1COCC1>[Cl:18][C:19]1[CH:36]=[CH:35][C:22]2[NH:23][C:24]([C@@H:26]([NH:34][C:5](=[O:7])[C:4]3[CH:8]=[CH:9][C:10]([N:11]4[CH2:16][CH2:15][O:14][CH2:13][C:12]4=[O:17])=[C:2]([CH3:1])[CH:3]=3)[CH2:27][CH2:28][C:29]3[NH:33][N:32]=[N:31][N:30]=3)=[N:25][C:21]=2[CH:20]=1