HRID688759

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID2734377

4-Phenoxyphenylboronic acid

C12H11BO3

结构：CC(C)(C)OC(=O)c1ccc(Br)cc1NC(=O)c1ccccc1

HCID67343005

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(-c2ccc(Oc3ccccc3)cc2)cc1NC(=O)c1ccccc1

HCID67341966

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48149f44c78f4d248a6ae9f921fc620b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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