HRID2155311

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COC(C(=O)NCc1ccc(C#N)cc1)c1c(F)ccc(O)c1F

HCID21905078

未命名化合物

结构：CCOC(C(=O)NCc1ccc(C#N)cc1)c1c(F)ccc(OS(=O)(=O)C(F)(F)F)c1F

HCID86593051

未命名化合物

PRODUCTS

生成物

结构：COC(C(=O)NCc1ccc(C#N)cc1)c1c(F)ccc(OS(=O)(=O)C(F)(F)F)c1F

HCID86593052

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0868a39dc5854fcda5280ea105fb6dfe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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