HRID2337821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID75246

2-Naphthalenecarbonyl chloride

C11H7ClO

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(Cl)c(O)c2N)c1=O

HCID12056912

未命名化合物

PRODUCTS

生成物

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(Cl)c(O)c2NC(=O)c2ccc3ccccc3c2)c1=O

HCID57152878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2e6c6d0a2054a83bce60b1ceca3800b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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