HRID1796619

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4OC(C)(C)C(=O)NCC(=O)OC(C)(C)C)cc3)c2c1C

HCID21025143

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4OC(C)(C)C(=O)NCC(=O)O)cc3)c2c1C

HCID21025035

未命名化合物

收率 87.8%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID18672661

未命名化合物

PROCEDURE

实验过程

A solution of ester 388 (292 mg, 0.476 mmol) in TFA/CH2Cl2/H2O (5 ml, 48/48/4) was stirred for 2 h at rt, concentrated and purified by silica gel flash column chromatography to afford the title compound (233 mg, 89%) as a crystalline yellow powder (4%-12% MeOH—CH2Cl2). LCMS Found: (M+H)+=558.0

WORKUP

后处理

concentrationconcentrated
custompurified by silica gel flash column chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d9d7bfd972e4f1ea6ece9ba9b4c6e95
来源数据集: uspto-grants-2006_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07030112B2
来源说明: uspto-grants-2006_04

反应 SMILES

[CH3:1][O:2][C:3]([C:5]1[C:6]([CH3:45])=[C:7]2[C:12]([NH:13][C:14]3[CH:19]=[CH:18][C:17]([O:20][C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=4[O:27][C:28]([C:31](=[O:41])[NH:32][CH2:33][C:34]([O:36]C(C)(C)C)=[O:35])([CH3:30])[CH3:29])=[CH:16][CH:15]=3)=[C:11]([C:42]#[N:43])[CH:10]=[N:9][N:8]2[CH:44]=1)=[O:4]>C(O)(C(F)(F)F)=O.C(Cl)Cl.O>[CH3:1][O:2][C:3]([C:5]1[C:6]([CH3:45])=[C:7]2[C:12]([NH:13][C:14]3[CH:19]=[CH:18][C:17]([O:20][C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][C:22]=4[O:27][C:28]([C:31](=[O:41])[NH:32][CH2:33][C:34]([OH:36])=[O:35])([CH3:30])[CH3:29])=[CH:16][CH:15]=3)=[C:11]([C:42]#[N:43])[CH:10]=[N:9][N:8]2[CH:44]=1)=[O:4]