HRID1402006

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID59436603

未命名化合物

结构：COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3I)c(C#N)c2)c(OC)c1

HCID66905795

3-Cyano-N-[(2,4-dimethoxyphenyl)methyl]-4-[2-iodo-4-(trifluoromethoxy)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

C25H18F3IN4O6S2

PRODUCTS

生成物

结构：CCOCn1nccc1-c1cc(OC(F)(F)F)ccc1Oc1ccc(S(=O)(=O)N(Cc2ccc(OC)cc2OC)c2ncns2)cc1C#N

HCID59436567

未命名化合物

收率 29%

PROCEDURE

实验过程

Prepared according to Method U (below) using 1-(ethoxymethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole (Preparation 337, 197 mg, 0.714 mmol), and 3-cyano-N-(2,4-dimethoxybenzyl)-4-[2-iodo-4-(trifluoromethoxy)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide (Preparation 497, 210 mg, 0.42 mmol). The material was purified by column chromatography eluting with ethyl acetate:heptane (1:1, by volume) to furnish the title compound as a white solid, 70 mg, 29% yield.

WORKUP

后处理

customPrepared
customThe material was purified by column chromatography
washeluting with ethyl acetate:heptane (1:1, by volume)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ecb3b42a43d487fa04de5568511c599
来源数据集: uspto-grants-2014_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08907101B2
来源说明: uspto-grants-2014_12

反应 SMILES

[CH2:1]([O:3][CH2:4][N:5]1[C:9](B2OC(C)(C)C(C)(C)O2)=[CH:8][CH:7]=[N:6]1)[CH3:2].[C:19]([C:21]1[CH:22]=[C:23]([S:40]([N:43]([CH2:49][C:50]2[CH:55]=[CH:54][C:53]([O:56][CH3:57])=[CH:52][C:51]=2[O:58][CH3:59])[C:44]2[S:48][N:47]=[CH:46][N:45]=2)(=[O:42])=[O:41])[CH:24]=[CH:25][C:26]=1[O:27][C:28]1[CH:33]=[CH:32][C:31]([O:34][C:35]([F:38])([F:37])[F:36])=[CH:30][C:29]=1I)#[N:20]>>[C:19]([C:21]1[CH:22]=[C:23]([S:40]([N:43]([CH2:49][C:50]2[CH:55]=[CH:54][C:53]([O:56][CH3:57])=[CH:52][C:51]=2[O:58][CH3:59])[C:44]2[S:48][N:47]=[CH:46][N:45]=2)(=[O:42])=[O:41])[CH:24]=[CH:25][C:26]=1[O:27][C:28]1[CH:29]=[CH:30][C:31]([O:34][C:35]([F:37])([F:36])[F:38])=[CH:32][C:33]=1[C:9]1[N:5]([CH2:4][O:3][CH2:1][CH3:2])[N:6]=[CH:7][CH:8]=1)#[N:20]