HRID665269

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

HCID2734344

4-(Dimethylamino)phenylboronic acid

C8H12BNO2

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：CN(C)c1ccc(-c2ccc(C(=O)OC(C)(C)C)c(NC(=O)c3ccccc3)c2)cc1

HCID67344424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85182026cd0845c99109af138b3bee45
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:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)(=[O:26])[NH:27][c:28]1[c:29]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[cH:37][cH:38][c:39]([Br:41])[cH:40]1.[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6]([B:9]([OH:10])[OH:11])[cH:7][cH:8]1)[CH3:12].[CH3:42][N:43]([CH3:44])[C:45](=[O:46])[CH3:47].[Na+:13].[Na+:14].[O-:15][C:16](=[O:17])[O-:18]>>[CH3:1][N:2]([c:3]1[cH:4][cH:5][c:6](-[c:39]2[cH:38][cH:37][c:29]([C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[c:28]([NH:27][C:19]([c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)=[O:26])[cH:40]2)[cH:7][cH:8]1)[CH3:12]