HRID46341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11572816

2-iodo-4-(trifluoromethyl)phenol

C7H4F3IO

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

HCID58042254

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

C18H15FN4O4S2

PRODUCTS

生成物

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

HCID59436485

未命名化合物

PROCEDURE

实验过程

Prepared according to Method O (below) at room temperature using 3-cyano-N-(2,4-dimethoxybenzyl)-4-fluoro-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide (Preparation 68) and 2-iodo-4-(trifluoromethyl)phenol (Preparation 224). The title compound was isolated as a white solid.

WORKUP

后处理

customPrepared
customaccording to Method O (below) at room temperature

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65964556440d4f1c9e38432b8003beb8
来源数据集: uspto-grants-2013_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08541588B2
来源说明: uspto-grants-2013_09

反应 SMILES

[C:1]([C:3]1[CH:4]=[C:5]([S:10]([N:13]([CH2:19][C:20]2[CH:25]=[CH:24][C:23]([O:26][CH3:27])=[CH:22][C:21]=2[O:28][CH3:29])[C:14]2[S:18][N:17]=[CH:16][N:15]=2)(=[O:12])=[O:11])[CH:6]=[CH:7][C:8]=1F)#[N:2].[I:30][C:31]1[CH:36]=[C:35]([C:37]([F:40])([F:39])[F:38])[CH:34]=[CH:33][C:32]=1[OH:41]>>[C:1]([C:3]1[CH:4]=[C:5]([S:10]([N:13]([CH2:19][C:20]2[CH:25]=[CH:24][C:23]([O:26][CH3:27])=[CH:22][C:21]=2[O:28][CH3:29])[C:14]2[S:18][N:17]=[CH:16][N:15]=2)(=[O:12])=[O:11])[CH:6]=[CH:7][C:8]=1[O:41][C:32]1[CH:33]=[CH:34][C:35]([C:37]([F:38])([F:39])[F:40])=[CH:36][C:31]=1[I:30])#[N:2]