HRID625452

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

反应SMILES：CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CCOCCOCCOCCC(=O)OC(C)(C)C)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

HCID66586842

未命名化合物

PRODUCTS

产物

反应SMILES：CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)N(C)CCOCCOCCOCCC(=O)O)c2)c(-c2cc(C(=O)NCc3cccc(C(F)(F)F)c3)ccn2)c1

HCID66588235

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

To a mixture of tert-butyl 1-(3-((4-(diethylamino)-2-(4-((3-(trifluoromethyl)benzyl)carbamoyl)pyridin-2-yl)phenyl)carbamoyl)phenyl)-2-methyl-1-oxo-5,8,11-trioxa-2-azatetradecan-14-oate (1.17 g) in DCM (20 mL) was added TFA (20 mL). The mixture was stirred for 1 hour, concentrated and lyophilized to give a think brown syrup. MS (ES, m/z): 808.3 [M+H]+.

WORKUP

后处理

concentrationconcentrated
customto give a think brown syrup

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0c527ddb5e6c411384ef68f18f342874
来源数据集: uspto-grants-2016_04
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US09301951B2
来源说明: uspto-grants-2016_04

反应SMILES

[CH2:1]([N:3]([CH2:61][CH3:62])[C:4]1[CH:9]=[CH:8][C:7]([NH:10][C:11]([C:13]2[CH:14]=[C:15]([C:19](=[O:40])[N:20]([CH3:39])[CH2:21][CH2:22][O:23][CH2:24][CH2:25][O:26][CH2:27][CH2:28][O:29][CH2:30][CH2:31][C:32]([O:34]C(C)(C)C)=[O:33])[CH:16]=[CH:17][CH:18]=2)=[O:12])=[C:6]([C:41]2[CH:46]=[C:45]([C:47](=[O:60])[NH:48][CH2:49][C:50]3[CH:55]=[CH:54][CH:53]=[C:52]([C:56]([F:59])([F:58])[F:57])[CH:51]=3)[CH:44]=[CH:43][N:42]=2)[CH:5]=1)[CH3:2].C(O)(C(F)(F)F)=O>C(Cl)Cl>[CH2:61]([N:3]([CH2:1][CH3:2])[C:4]1[CH:9]=[CH:8][C:7]([NH:10][C:11]([C:13]2[CH:14]=[C:15]([C:19](=[O:40])[N:20]([CH3:39])[CH2:21][CH2:22][O:23][CH2:24][CH2:25][O:26][CH2:27][CH2:28][O:29][CH2:30][CH2:31][C:32]([OH:34])=[O:33])[CH:16]=[CH:17][CH:18]=2)=[O:12])=[C:6]([C:41]2[CH:46]=[C:45]([C:47](=[O:60])[NH:48][CH2:49][C:50]3[CH:55]=[CH:54][CH:53]=[C:52]([C:56]([F:57])([F:59])[F:58])[CH:51]=3)[CH:44]=[CH:43][N:42]=2)[CH:5]=1)[CH3:62]