HRID1096879

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1cc(OCCCc2cc(C3=C(C(=O)N(Cc4cccc(Cl)c4Cl)C4CC4)C4CN(C(=O)OC(C)(C)C)CC(C3)N4C(=O)OC(C)(C)C)on2)cc(C)c1Cl

HCID68571289

未命名化合物

HCID131729530

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(OCCCc2cc(C3=C(C(=O)N(Cc4cccc(Cl)c4Cl)C4CC4)C4CNCC(C3)N4)on2)cc(C)c1Cl

HCID68571189

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID23994

Zinc

溶剂HCID23444217

未命名化合物

PROCEDURE

实验过程

This compound is prepared from compound F15, according to the above-described procedure B. After cleaving the Boc-group the trichloro-tert-butylcarbamate was cleaved using Zn-powder in THF/AcOH 3:1. LC-MS: tR=0.93 min; ES+: 629.33.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd209ccb37c343ce84d6f4fcc9d5aa1d
来源数据集: uspto-grants-2012_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08138340B2
来源说明: uspto-grants-2012_03

反应 SMILES

C(OC([N:8]1[CH2:15][CH:14]2[N:16](C(OC(C)(C)C)=O)[CH:10]([CH2:11][C:12]([C:39]3[O:43][N:42]=[C:41]([CH2:44][CH2:45][CH2:46][O:47][C:48]4[CH:53]=[C:52]([CH3:54])[C:51]([Cl:55])=[C:50]([CH3:56])[CH:49]=4)[CH:40]=3)=[C:13]2[C:24](=[O:38])[N:25]([CH:35]2[CH2:37][CH2:36]2)[CH2:26][C:27]2[CH:32]=[CH:31][CH:30]=[C:29]([Cl:33])[C:28]=2[Cl:34])[CH2:9]1)=O)(C)(C)C.ClC(Cl)(Cl)C(NC(=O)[O-])(C)C>C1COCC1.CC(O)=O.[Zn]>[CH:35]1([N:25]([CH2:26][C:27]2[CH:32]=[CH:31][CH:30]=[C:29]([Cl:33])[C:28]=2[Cl:34])[C:24]([C:13]2[CH:14]3[NH:16][CH:10]([CH2:11][C:12]=2[C:39]2[O:43][N:42]=[C:41]([CH2:44][CH2:45][CH2:46][O:47][C:48]4[CH:53]=[C:52]([CH3:54])[C:51]([Cl:55])=[C:50]([CH3:56])[CH:49]=4)[CH:40]=2)[CH2:9][NH:8][CH2:15]3)=[O:38])[CH2:37][CH2:36]1