HRID2169109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C

HCID86644531

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCOCCOCC(=O)ON1C(=O)CCC1=O)C(=O)O

HCID58419214

未命名化合物

收率 80%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6422

未命名化合物

PROCEDURE

实验过程

19-((S)-1-tert-Butoxycarbonyl-3-{2-[2-({2-[2-(2,5-dioxopyrrolidin-1-yloxycarbonylmethoxy)ethoxy]ethylcarbamoyl}methoxy)ethoxy]ethylcarbamoyl}propylcarbamoyl)nonadecanoic acid tert-butyl ester (3.4 g) was stirred in TFA (75 ml) for 45 min and then concentrated in vacuo. The residue was concentrated with toluene 3 times to give a solid. The residue was crystallised in 2-propanol and filtered to give a white crystalline compound. Yield 80% (2.4 g). LC-MS (electrospray): m/z: 859.44.

WORKUP

后处理

concentrationconcentrated in vacuo
concentrationThe residue was concentrated with toluene 3 times
customto give a solid
customThe residue was crystallised in 2-propanol
filtrationfiltered
customto give a white crystalline compound

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9d286ac592a4f7f8cd5a58564b38a03
来源数据集: uspto-grants-2015_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09045560B2
来源说明: uspto-grants-2015_06

反应 SMILES

C([O:5][C:6](=[O:68])[CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:25](=[O:67])[NH:26][C@H:27]([C:60]([O:62]C(C)(C)C)=[O:61])[CH2:28][CH2:29][C:30](=[O:59])[NH:31][CH2:32][CH2:33][O:34][CH2:35][CH2:36][O:37][CH2:38][C:39](=[O:58])[NH:40][CH2:41][CH2:42][O:43][CH2:44][CH2:45][O:46][CH2:47][C:48]([O:50][N:51]1[C:55](=[O:56])[CH2:54][CH2:53][C:52]1=[O:57])=[O:49])(C)(C)C>C(O)(C(F)(F)F)=O>[C:60]([C@@H:27]([NH:26][C:25]([CH2:24][CH2:23][CH2:22][CH2:21][CH2:20][CH2:19][CH2:18][CH2:17][CH2:16][CH2:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9][CH2:8][CH2:7][C:6]([OH:68])=[O:5])=[O:67])[CH2:28][CH2:29][C:30](=[O:59])[NH:31][CH2:32][CH2:33][O:34][CH2:35][CH2:36][O:37][CH2:38][C:39](=[O:58])[NH:40][CH2:41][CH2:42][O:43][CH2:44][CH2:45][O:46][CH2:47][C:48]([O:50][N:51]1[C:55](=[O:56])[CH2:54][CH2:53][C:52]1=[O:57])=[O:49])([OH:62])=[O:61]