HRID1096867

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2773561

2-Chloro-3,6-difluorophenol

C6H3ClF2O

结构：COc1cccc(CN(C(=O)C2=C(c3cnc(OCCO)s3)CC3CN(C(=O)OC(C)(C)C)CC2N3C(=O)OC(C)(C)C)C2CC2)c1C

HCID68570797

未命名化合物

PRODUCTS

生成物

结构：COc1cccc(CN(C(=O)C2=C(c3cnc(OCCOc4c(F)ccc(F)c4Cl)s3)CC3CN(C(=O)OC(C)(C)C)CC2N3C(=O)OC(C)(C)C)C2CC2)c1C

HCID69085915

未命名化合物

PROCEDURE

实验过程

This compound is prepared from compound E9 and 2-chloro-3,6-difluorophenol, according to the above-described procedure A. LC-MS: tR=1.22 min, ES+: 831.36.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd61fca1219b4bc69004b4c5bc22b54c
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:40]3[S:44][C:43]([O:45][CH2:46][CH2:47][OH:48])=[N:42][CH:41]=3)=[C:13]2[C:24](=[O:39])[N:25]([CH:36]2[CH2:38][CH2:37]2)[CH2:26][C:27]2[CH:32]=[CH:31][CH:30]=[C:29]([O:33][CH3:34])[C:28]=2[CH3:35])[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[Cl:49][C:50]1[C:55]([F:56])=[CH:54][CH:53]=[C:52]([F:57])[C:51]=1O>>[C:1]([O:5][C:6]([N:8]1[CH2:15][CH:14]2[N:16]([C:17]([O:19][C:20]([CH3:21])([CH3:23])[CH3:22])=[O:18])[CH:10]([CH2:11][C:12]([C:40]3[S:44][C:43]([O:45][CH2:46][CH2:47][O:48][C:51]4[C:52]([F:57])=[CH:53][CH:54]=[C:55]([F:56])[C:50]=4[Cl:49])=[N:42][CH:41]=3)=[C:13]2[C:24](=[O:39])[N:25]([CH:36]2[CH2:37][CH2:38]2)[CH2:26][C:27]2[CH:32]=[CH:31][CH:30]=[C:29]([O:33][CH3:34])[C:28]=2[CH3:35])[CH2:9]1)=[O:7])([CH3:2])([CH3:3])[CH3:4]