HRID198711

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

HCID2734323

3-Chlorophenylboronic acid

C6H6BClO2

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

HCID67343005

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)c1ccc(-c2cccc(Cl)c2)cc1NC(=O)c1ccccc1

HCID67344272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2e9f8ec4b7c1402cb94827894215e158
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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