HRID119092

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

HCID46737998

Ethyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetate

C16H23BO4

结构：COc1ccc(C(C)OC(=O)Nc2c(C)noc2-c2ccc(Br)cc2)c(F)c1

HCID67351863

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3NC(=O)OC(C)c3ccc(OC)cc3F)cc2)cc1

HCID67352883

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32d3662da7e042119a3bed73642cab7e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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