HRID96977

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID4589190

5-Isopropyl-2-methoxyphenylboronic acid

C10H15BO3

结构：CC(C)N(NC(=O)c1ccccc1)C(=O)CCc1ccccc1Br

HCID57560116

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(C)C)cc1-c1ccccc1CCC(=O)N(NC(=O)c1ccccc1)C(C)C

HCID11962245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e720caf348304af8bcfb7c057ab0e312
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

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