HRID63742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CCCOC(=O)[C@H](Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)cc1)NC(=O)c1c(Cl)cc(OCCCNC(=O)OC(C)(C)C)cc1Cl

HCID89721106

未命名化合物

PRODUCTS

生成物

结构：CCCOC(=O)[C@H](Cc1ccc(-c2c(C)n(C)c(=O)n(C)c2=O)cc1)NC(=O)c1c(Cl)cc(OCCCN)cc1Cl.O=C(O)C(F)(F)F

HCID89723085

未命名化合物

PROCEDURE

实验过程

The title compound was prepared using a similar procedure as described in Example 5, Step 6, starting from (S)-2-[4-(3-tert-butoxycarbonylaminopropoxy)-2,6-dichlorobenzoylamino]-3-[4-(1,3,6-trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5- yl)phenyl]propionic acid propyl ester (781 mg, 1.1 mmol) and TFA (1.14 g, 742 uL, 10 mmol), resulting in a hygroscopic white solid (790 mg, 99%). ES(+)-HRMS m/e calcd. for C29H34Cl2N4O6 (M+H)+ 605.1928, obsd. 605.1929.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa8924f38fd441b9a4572d5891f6607b
来源数据集: uspto-grants-2016_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09447035B2
来源说明: uspto-grants-2016_09

反应 SMILES

[CH2:1]([O:4][C:5](=[O:48])[C@@H:6]([NH:25][C:26](=[O:47])[C:27]1[C:32]([Cl:33])=[CH:31][C:30]([O:34][CH2:35][CH2:36][CH2:37][NH:38]C(OC(C)(C)C)=O)=[CH:29][C:28]=1[Cl:46])[CH2:7][C:8]1[CH:13]=[CH:12][C:11]([C:14]2[C:15](=[O:24])[N:16]([CH3:23])[C:17](=[O:22])[N:18]([CH3:21])[C:19]=2[CH3:20])=[CH:10][CH:9]=1)[CH2:2][CH3:3].[C:49]([OH:55])([C:51]([F:54])([F:53])[F:52])=[O:50]>>[F:52][C:51]([F:54])([F:53])[C:49]([OH:55])=[O:50].[CH2:1]([O:4][C:5](=[O:48])[C@@H:6]([NH:25][C:26](=[O:47])[C:27]1[C:28]([Cl:46])=[CH:29][C:30]([O:34][CH2:35][CH2:36][CH2:37][NH2:38])=[CH:31][C:32]=1[Cl:33])[CH2:7][C:8]1[CH:9]=[CH:10][C:11]([C:14]2[C:15](=[O:24])[N:16]([CH3:23])[C:17](=[O:22])[N:18]([CH3:21])[C:19]=2[CH3:20])=[CH:12][CH:13]=1)[CH2:2][CH3:3]