HRID1766077

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1176

Urea

CH4N2O

HCID7000

2-Anisidine

C7H9NO

结构：CSc1nc(-c2cccc(NC(=O)Oc3ccc([N+](=O)[O-])cc3)c2)c2c(N)c(C(=O)NC(C)(C)C)sc2n1

HCID69287458

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1NC(=O)Nc1cccc(-c2nc(SC)nc3sc(C(=O)NC(C)(C)C)c(N)c23)c1

HCID69288655

未命名化合物

PROCEDURE

实验过程

The urea coupling of tert-Butyl 5-amino-2-methylthio-4-(3-(p-nitro-phenoxycarbonylamino)-phenyl)-thieno[2,3-d]pyrimidine-6-carboxamide (example 20, 142 mg) with ortho-anisidine (159 mg) was performed according to the methods described in example 21. The title compound was purified by HPLC using a Luna C-18 column with the following gradient: H2O/CH3CN=80/20 to 0/100 (v/v) in 45 min. The title compound was then lyophilized from a mixture of 1,4-dioxane and H2O.

WORKUP

后处理

customThe title compound was purified by HPLC
additionThe title compound was then lyophilized from a mixture of 1,4-dioxane and H2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbbdbbfbf2e143b0abac5d0a99982e96
来源数据集: uspto-grants-2007_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07229990B2
来源说明: uspto-grants-2007_06

反应 SMILES

NC(N)=O.[C:5]([NH:9][C:10]([C:12]1[S:41][C:15]2[N:16]=[C:17]([S:39][CH3:40])[N:18]=[C:19]([C:20]3[CH:25]=[CH:24][CH:23]=[C:22]([NH:26][C:27]([O:29]C4C=CC([N+]([O-])=O)=CC=4)=O)[CH:21]=3)[C:14]=2[C:13]=1[NH2:42])=[O:11])([CH3:8])([CH3:7])[CH3:6].[CH3:43][O:44][C:45]1[C:46]([NH2:51])=[CH:47][CH:48]=[CH:49][CH:50]=1>>[C:5]([NH:9][C:10]([C:12]1[S:41][C:15]2[N:16]=[C:17]([S:39][CH3:40])[N:18]=[C:19]([C:20]3[CH:25]=[CH:24][CH:23]=[C:22]([NH:26][C:27]([NH:51][C:46]4[C:45](=[CH:50][CH:49]=[CH:48][CH:47]=4)[O:44][CH3:43])=[O:29])[CH:21]=3)[C:14]=2[C:13]=1[NH2:42])=[O:11])([CH3:6])([CH3:8])[CH3:7]