HRID305077

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID887

Methanol

CH4O

HCID7519

Anisole

C7H8O

HCID104727

Aluminum Cation

Al+3

结构：COc1ccc(Cn2c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c3n(-c3cccc(NC(C)=O)c3)c2=O)cc1

HCID59717341

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cccc(-n2c(=O)[nH]c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c32)c1

HCID59717419

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-21f82f0085aa4cde87bcaea329045d2d
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

[Al+3:45].[CH3:48][OH:49].[CH3:50][O:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Cl-:44].[Cl-:46].[Cl-:47].[F:1][c:2]1[c:3]([NH:9][c:10]2[n:11]([CH3:43])[c:12](=[O:42])[c:13]([CH3:41])[c:14]3[n:15](-[c:31]4[cH:32][c:33]([NH:37][C:38]([CH3:39])=[O:40])[cH:34][cH:35][cH:36]4)[c:16](=[O:30])[n:17]([CH2:21][c:22]4[cH:23][cH:24][c:25]([O:26][CH3:27])[cH:28][cH:29]4)[c:18](=[O:20])[c:19]23)[cH:4][cH:5][c:6]([I:8])[cH:7]1>>[F:1][c:2]1[c:3]([NH:9][c:10]2[n:11]([CH3:43])[c:12](=[O:42])[c:13]([CH3:41])[c:14]3[n:15](-[c:31]4[cH:32][c:33]([NH:37][C:38]([CH3:39])=[O:40])[cH:34][cH:35][cH:36]4)[c:16](=[O:30])[nH:17][c:18](=[O:20])[c:19]23)[cH:4][cH:5][c:6]([I:8])[cH:7]1