HRID1052678

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID25134

Boron tribromide

BBr3

结构：COc1ccc(S(=O)(=O)Nc2cc(-c3c(N)ncnc3N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)cnc2OC)cc1

HCID118433881

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(S(=O)(=O)Nc2cc(-c3c(N)ncnc3N[C@@H](C)c3nn4ccc(C)c4c(=O)n3-c3ccccc3)cnc2O)cc1

HCID178492874

未命名化合物

收率 46%

PROCEDURE

实验过程

(S)—N-(5-(4-Amino-6-((1-(5-methyl-4-oxo-3-phenyl-3,4-dihydropyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl)amino)pyrimidin-5-yl)-2-methoxypyridin-3-yl)-4-methoxybenzenesulfonamide (82 mg, 0.13 mmol) was treated with a solution of boron tribromide (1M in dichloromethane, 190 μl, 0.19 mmol) according to the method described in Example 23. The residue was purified using SP1® Purification System (0% to 100%, hexane-ethyl acetate) to give 37 mg (46% yield) of the title compound as a solid.

WORKUP

后处理

customThe residue was purified
customSP1® Purification System (0% to 100%, hexane-ethyl acetate)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d45ccce485074a38b566425a80ca6673
来源数据集: uspto-grants-2016_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09388189B2
来源说明: uspto-grants-2016_07

反应 SMILES

[NH2:1][C:2]1[C:7]([C:8]2[CH:9]=[C:10]([NH:16][S:17]([C:20]3[CH:25]=[CH:24][C:23]([O:26][CH3:27])=[CH:22][CH:21]=3)(=[O:19])=[O:18])[C:11]([O:14]C)=[N:12][CH:13]=2)=[C:6]([NH:28][C@H:29]([C:31]2[N:36]([C:37]3[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=3)[C:35](=[O:43])[C:34]3=[C:44]([CH3:47])[CH:45]=[CH:46][N:33]3[N:32]=2)[CH3:30])[N:5]=[CH:4][N:3]=1.B(Br)(Br)Br>>[NH2:1][C:2]1[C:7]([C:8]2[CH:9]=[C:10]([NH:16][S:17]([C:20]3[CH:25]=[CH:24][C:23]([O:26][CH3:27])=[CH:22][CH:21]=3)(=[O:19])=[O:18])[C:11]([OH:14])=[N:12][CH:13]=2)=[C:6]([NH:28][C@H:29]([C:31]2[N:36]([C:37]3[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=3)[C:35](=[O:43])[C:34]3=[C:44]([CH3:47])[CH:45]=[CH:46][N:33]3[N:32]=2)[CH3:30])[N:5]=[CH:4][N:3]=1