HRID306764

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID86607098

未命名化合物

结构：O=C(O)c1cnn2c(C(F)(F)F)cc(-c3ccc(C(F)(F)F)c(Cl)c3)nc12

HCID86607116

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(C(F)(F)F)c(Cl)c4)nc23)sc1S(=O)(=O)NC(C)(C)CO

HCID86607119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0937fee004284ff9bd7140bdcf222479
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14]3[n:15]([c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)[n:22][cH:23][c:24]3[C:25](=[O:26])[OH:27])[cH:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11].[OH:28][CH2:29][C:30]([CH3:31])([CH3:32])[NH:33][S:34](=[O:35])(=[O:36])[c:37]1[c:38]([CH3:43])[n:39][c:40]([NH2:42])[s:41]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][c:14]3[n:15]([c:16]([C:18]([F:19])([F:20])[F:21])[cH:17]2)[n:22][cH:23][c:24]3[C:25](=[O:26])[NH:42][c:40]2[n:39][c:38]([CH3:43])[c:37]([S:34]([NH:33][C:30]([CH2:29][OH:28])([CH3:31])[CH3:32])(=[O:35])=[O:36])[s:41]2)[cH:5][cH:6][c:7]1[C:8]([F:9])([F:10])[F:11]