HRID1915687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12152

Benzyl azide

C7H7N3

结构：CCc1cccc(Nc2nc3cc(Oc4ccnc(C(=O)NC)c4)ccc3n2C)c1

HCID21037187

未命名化合物

结构：O=C1O[C@H]([C@@H](O)CO)C([O-])=C1O.[Na+]

HCID23667548

Sodium L-ascorbate

C6H7NaO6

PRODUCTS

生成物

结构：CNC(=O)c1cc(Oc2ccc3c(c2)nc(Nc2cccc(-c4cn(Cc5ccccc5)nn4)c2)n3C)ccn1

HCID21037161

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID24463

Copper(II) sulfate, pentahydrate

H10CuO9S

溶剂HCID962

Water

H2O

溶剂HCID6386

tert-Butyl alcohol

C4H10O

PROCEDURE

实验过程

To a mixture of 4-[2-(3-Ethyl-phenylamino)-1-methyl-1H-benzoimidazol-5-yloxy]-pyridine-2-carboxylic acid methylamide (1 eq) (prepared using previously described example 2), benzyl azide (1 eq) in t-butanol (0.1M) was added sodium ascorbate (0.05 eq), and copper (II) sulfate pentahydrate (0.01 eq). The resulting mixture was allowed to stir for 1 hour at room temperature. The mixture was then diluted with water and the solid collect via suction filtration. MS: MH+531

WORKUP

后处理

customprepared
filtrationthe solid collect via suction filtration

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-67b3e6bea1af42049cc248cdb5a27db2
来源数据集: uspto-grants-2013_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08614330B2
来源说明: uspto-grants-2013_12

反应 SMILES

[CH3:1][NH:2][C:3]([C:5]1[CH:10]=[C:9]([O:11][C:12]2[CH:30]=[CH:29][C:15]3[N:16]([CH3:28])[C:17]([NH:19][C:20]4[CH:25]=[CH:24][CH:23]=[C:22]([CH2:26][CH3:27])[CH:21]=4)=[N:18][C:14]=3[CH:13]=2)[CH:8]=[CH:7][N:6]=1)=[O:4].[CH2:31]([N:38]=[N+:39]=[N-:40])[C:32]1[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=1.O=C1O[C@H]([C@H](CO)O)C([O-])=C1O.[Na+]>C(O)(C)(C)C.O.O.O.O.O.O.S([O-])([O-])(=O)=O.[Cu+2]>[CH3:1][NH:2][C:3]([C:5]1[CH:10]=[C:9]([O:11][C:12]2[CH:30]=[CH:29][C:15]3[N:16]([CH3:28])[C:17]([NH:19][C:20]4[CH:25]=[CH:24][CH:23]=[C:22]([C:26]5[N:40]=[N:39][N:38]([CH2:31][C:32]6[CH:37]=[CH:36][CH:35]=[CH:34][CH:33]=6)[CH:27]=5)[CH:21]=4)=[N:18][C:14]=3[CH:13]=2)[CH:8]=[CH:7][N:6]=1)=[O:4]