HRID1119257

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2769411

未命名化合物

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(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

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b7e5e17d75c462ea8d9fd874f0076b0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:14](#[N:15])[c:16]1[cH:17][c:18]([S:23](=[O:24])(=[O:25])[N:26]([c:27]2[n:28][cH:29][n:30][s:31]2)[CH2:32][c:33]2[c:34]([O:41][CH3:42])[cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]2)[cH:19][cH:20][c:21]1[F:22].[I:1][c:2]1[c:3]([OH:13])[cH:4][cH:5][c:6]([O:8][C:9]([F:10])([F:11])[F:12])[cH:7]1>>[I:1][c:2]1[c:3]([O:13][c:21]2[c:16]([C:14]#[N:15])[cH:17][c:18]([S:23](=[O:24])(=[O:25])[N:26]([c:27]3[n:28][cH:29][n:30][s:31]3)[CH2:32][c:33]3[c:34]([O:41][CH3:42])[cH:35][c:36]([O:39][CH3:40])[cH:37][cH:38]3)[cH:19][cH:20]2)[cH:4][cH:5][c:6]([O:8][C:9]([F:10])([F:11])[F:12])[cH:7]1