HRID1958006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=S)Nc1cc(Nc2ncc3c(n2)N(C(C)C)CC(=O)N3C)cc(S(C)(=O)=O)c1

HCID86640955

未命名化合物

HCID178418966

未命名化合物

PRODUCTS

生成物

结构：CC(C)N1CC(=O)N(C)c2cnc(Nc3cc(NC(=O)NC4CCC(NC(=O)OC(C)(C)C)CC4)cc(S(C)(=O)=O)c3)nc21

HCID59286116

未命名化合物

收率 99%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

CONDITIONS

反应条件

温度: 70 °C

PROCEDURE

实验过程

[3-(8-Isopropyl-5-methyl-6-oxo-5,6,7,8-tetrahydro-pteridin-2-ylamino)-5-(methylsulfonyl)-phenyl]-thiocarbamic acid ethyl ester (150 mg; 0.313 mmol) was dissolved in 1 ml of dry DMF, tert-butyl-cis-4-aminocyclohexylcarbamate (201 mg; 0.940 mmol) was added. The reaction mixture was stirred at 70° C., overnight, then, it was diluted with water. The precipitated formed was filtered, washed with water and dried in vacuo. 196 mg (0.311 mmol; 99% yield) of the desired compound to were obtained.

WORKUP

后处理

customThe precipitated formed
filtrationwas filtered
washwashed with water
customdried in vacuo

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-33fe0f9135d941abaf997dd0bbc8a9c4
来源数据集: uspto-grants-2013_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08410100B2
来源说明: uspto-grants-2013_04

反应 SMILES

C([O:3][C:4](=S)[NH:5][C:6]1[CH:11]=[C:10]([S:12]([CH3:15])(=[O:14])=[O:13])[CH:9]=[C:8]([NH:16][C:17]2[N:26]=[CH:25][C:24]3[N:23]([CH3:27])[C:22](=[O:28])[CH2:21][N:20]([CH:29]([CH3:31])[CH3:30])[C:19]=3[N:18]=2)[CH:7]=1)C.[C:33]([O:37][C:38](=[O:47])[NH:39][C@H:40]1[CH2:45][CH2:44][C@@H:43]([NH2:46])[CH2:42][CH2:41]1)([CH3:36])([CH3:35])[CH3:34]>CN(C=O)C.O>[C:33]([O:37][C:38](=[O:47])[NH:39][CH:40]1[CH2:41][CH2:42][CH:43]([NH:46][C:4]([NH:5][C:6]2[CH:11]=[C:10]([S:12]([CH3:15])(=[O:14])=[O:13])[CH:9]=[C:8]([NH:16][C:17]3[N:26]=[CH:25][C:24]4[N:23]([CH3:27])[C:22](=[O:28])[CH2:21][N:20]([CH:29]([CH3:31])[CH3:30])[C:19]=4[N:18]=3)[CH:7]=2)=[O:3])[CH2:44][CH2:45]1)([CH3:36])([CH3:34])[CH3:35]