HRID1096865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID94392

2,6-Difluorophenol

C6H4F2O

结构：CC(C)(C)OC(=O)N1CC2CC(c3nc(CCCO)cs3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)C(C1)N2C(=O)OC(C)(C)C

HCID68570774

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CC(c3nc(CCCOc4c(F)cccc4F)cs3)=C(C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)C(C1)N2C(=O)OC(C)(C)C

HCID68570964

未命名化合物

PROCEDURE

实验过程

This compound is prepared from compound E4 and 2,6-difluorophenol, according to the above-described procedure A. LC-MS: tR=1.24 min, ES+: 819.40.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4b7bf1b4e8b9487993e33638884f9565
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:1]([O:5][C:6]([N:8]1[CH2:15][CH:14]2[N:16]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH:10]([CH2:11][C:12]([C:39]3[S:40][CH:41]=[C:42]([CH2:44][CH2:45][CH2:46][OH:47])[N:43]=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:7])([CH3:4])([CH3:3])[CH3:2].[F:48][C:49]1[CH:54]=[CH:53][CH:52]=[C:51]([F:55])[C:50]=1O>>[C:1]([O:5][C:6]([N:8]1[CH2:15][CH:14]2[N:16]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH:10]([CH2:11][C:12]([C:39]3[S:40][CH:41]=[C:42]([CH2:44][CH2:45][CH2:46][O:47][C:50]4[C:49]([F:48])=[CH:54][CH:53]=[CH:52][C:51]=4[F:55])[N:43]=3)=[C:13]2[C:24](=[O:38])[N:25]([CH:35]2[CH2:36][CH2:37]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:7])([CH3:4])([CH3:2])[CH3:3]