HRID667221

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

结构：CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(Br)ccc12

HCID22319559

未命名化合物

PRODUCTS

生成物

结构：CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(Cl)cc3)ccc12

HCID22319489

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-79794dc1eefd47f7a3aeebdd59b6a3b0
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

[Br:17][c:18]1[cH:19][cH:20][c:21]2[c:22]([NH:35][C:36]([CH2:37][CH2:38][CH3:39])=[O:40])[n:23][n:24]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[c:25]2[cH:26]1.[C:11](=[O:12])([O-:13])[O-:14].[CH3:47][CH2:48][O:49][C:50](=[O:51])[CH3:52].[Cl:1][c:2]1[cH:3][cH:4][c:5]([B:8]([OH:9])[OH:10])[cH:6][cH:7]1.[K+:15].[K+:16].[O:41]1[CH2:42][CH2:43][O:44][CH2:45][CH2:46]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:18]2[cH:19][cH:20][c:21]3[c:22]([NH:35][C:36]([CH2:37][CH2:38][CH3:39])=[O:40])[n:23][n:24]([CH2:27][O:28][CH2:29][CH2:30][Si:31]([CH3:32])([CH3:33])[CH3:34])[c:25]3[cH:26]2)[cH:6][cH:7]1