HRID1944914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)Nc5ccc(CCNC(=O)OC(C)(C)C)cc5)c4)cc23)c1

HCID58505121

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(Nc2c(C(N)=O)cnc3c(C)cc(S(=O)(=O)c4cccc(C(=O)Nc5ccc(CCN)cc5)c4)cc23)c1

HCID58505073

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

TFA (0.5 mL) was added dropwise to a suspension of Intermediate 82 (382 mg, 0.538 mmol) in CH2Cl2 (5 mL) at rt. After stirring for 5 h, the reaction was concentrated in vacuo to give a brown residue. A portion was treated with silica-carbonate resin and used in the following step without further purification. ES/MS calcd. for C33H32N5O5S+ 610.2. Found m/z=610.2 (M+H)+.

WORKUP

后处理

concentrationthe reaction was concentrated in vacuo
customto give a brown residue
additionA portion was treated with silica-carbonate resin
customused in the following step without further purification

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a31bfeea3a564c1abfe722026e7c93a4
来源数据集: uspto-grants-2013_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08394829B2
来源说明: uspto-grants-2013_03

反应 SMILES

C(O)(C(F)(F)F)=O.[C:8]([C:11]1[CH:12]=[N:13][C:14]2[C:19]([C:20]=1[NH:21][C:22]1[CH:27]=[CH:26][CH:25]=[C:24]([O:28][CH3:29])[CH:23]=1)=[CH:18][C:17]([S:30]([C:33]1[CH:34]=[C:35]([CH:55]=[CH:56][CH:57]=1)[C:36]([NH:38][C:39]1[CH:54]=[CH:53][C:42]([CH2:43][CH2:44][NH:45]C(=O)OC(C)(C)C)=[CH:41][CH:40]=1)=[O:37])(=[O:32])=[O:31])=[CH:16][C:15]=2[CH3:58])(=[O:10])[NH2:9]>C(Cl)Cl>[NH2:45][CH2:44][CH2:43][C:42]1[CH:53]=[CH:54][C:39]([NH:38][C:36]([C:35]2[CH:34]=[C:33]([S:30]([C:17]3[CH:18]=[C:19]4[C:14](=[C:15]([CH3:58])[CH:16]=3)[N:13]=[CH:12][C:11]([C:8]([NH2:9])=[O:10])=[C:20]4[NH:21][C:22]3[CH:27]=[CH:26][CH:25]=[C:24]([O:28][CH3:29])[CH:23]=3)(=[O:31])=[O:32])[CH:57]=[CH:56][CH:55]=2)=[O:37])=[CH:40][CH:41]=1