HRID902811

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67607

Benzoyl chloride, 4-(trifluoromethyl)-

C8H4ClF3O

HCID2760343

4-Phenoxybenzylamine

C13H13NO

HCID11615330

6-amino-2,2-dimethyl-benzo[1,3]dioxin-4-one

C10H11NO3

HCID58693699

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccc(Oc2ccccc2)cc1)c1ccc(-c2nc(CN(C(=O)c3ccc(C(F)(F)F)cc3)c3ccc(O)c(C(=O)O)c3)cs2)cc1

HCID11297104

未命名化合物

PROCEDURE

实验过程

The title compound was prepared following the procedure A using 4-phenoxybenzylamine, 4-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoyl chloride, 4-(trifluoromethyl)benzoyl chloride and 6-amino-2,2-dimethyl-4H-1,3-benzodioxin-4-one. M+(ESI): 724.1

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eb3bd972168944c8a7d059b9f9d75ed2
来源数据集: uspto-grants-2008_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07365225B2
来源说明: uspto-grants-2008_04

反应 SMILES

[O:1]([C:8]1[CH:15]=[CH:14][C:11]([CH2:12][NH2:13])=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.Cl[CH2:17][C:18]1[N:19]=[C:20]([C:23]2[CH:31]=[CH:30][C:26]([C:27](Cl)=[O:28])=[CH:25][CH:24]=2)[S:21][CH:22]=1.[F:32][C:33]([F:44])([F:43])[C:34]1[CH:42]=[CH:41][C:37]([C:38](Cl)=[O:39])=[CH:36][CH:35]=1.[NH2:45][C:46]1[CH:58]=[CH:57][C:49]2[O:50]C(C)(C)[O:52][C:53](=[O:54])[C:48]=2[CH:47]=1>>[OH:50][C:49]1[CH:57]=[CH:58][C:46]([N:45]([CH2:17][C:18]2[N:19]=[C:20]([C:23]3[CH:31]=[CH:30][C:26]([C:27]([NH:13][CH2:12][C:11]4[CH:10]=[CH:9][C:8]([O:1][C:2]5[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=5)=[CH:15][CH:14]=4)=[O:28])=[CH:25][CH:24]=3)[S:21][CH:22]=2)[C:38](=[O:39])[C:37]2[CH:41]=[CH:42][C:34]([C:33]([F:44])([F:43])[F:32])=[CH:35][CH:36]=2)=[CH:47][C:48]=1[C:53]([OH:54])=[O:52]