HRID1626646

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID18189

4-Acetamidobutyric acid

C6H11NO3

结构：C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)NC3CC3)cc2)nc2c1CNC2

HCID46894114

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NCCCC(=O)N1Cc2nc(-c3ccc(NC(=O)NC4CC4)cc3)nc(N3CCOC[C@@H]3C)c2C1

HCID66679045

未命名化合物

收率 39%

PROCEDURE

实验过程

Method as example 127 using 4-acetamidobutanoic acid and (S)-1-cyclopropyl-3-(4-(4-(3-methylmorpholino)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl)urea (example 3) as starting materials. Purified by Prep HPLC at low pH to afford a white solid (46.5 mg, 0.089 mmol, 39%).

WORKUP

后处理

customPurified by Prep HPLC at low pH

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc5442640481436f99ea0d671f68ad48
来源数据集: uspto-grants-2014_07
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08785457B2
来源说明: uspto-grants-2014_07

反应 SMILES

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