HRID143758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

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：Cc1noc(-c2ccc(Br)cc2)c1NC(=O)OC(C)c1ccccc1

HCID66660478

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(-c2ccc(-c3onc(C)c3NC(=O)OC(C)c3ccccc3)cc2)cc1

HCID67351655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6fdd746b20d45b98a9cca0fe8166c3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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