HRID190690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate Ion

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

HCID59809676

未命名化合物

PRODUCTS

产物

HCID59809655

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6a1077fa3d6c4c04b1c2849c7075e523
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[N:15]([C:16]([CH2:17][N:18]([CH3:19])[c:20]2[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]2)=[O:28])[CH3:29])[cH:6][cH:7]1.[C:40](=[O:41])([O-:42])[O-:43].[CH2:52]1[O:53][CH2:54][CH2:55][O:56][CH2:57]1.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:30][c:31]1[cH:32][cH:33][c:34]([B:37]([OH:38])[OH:39])[cH:35][cH:36]1.[Na+:44].[Na+:45].[OH2:58]>>[c:2]1(-[c:34]2[cH:33][cH:32][c:31]([Cl:30])[cH:36][cH:35]2)[cH:3][cH:4][c:5]([CH:8]([CH2:9][N:10]2[CH2:11][CH2:12][CH2:13][CH2:14]2)[N:15]([C:16]([CH2:17][N:18]([CH3:19])[c:20]2[cH:21][c:22]([Cl:27])[c:23]([Cl:26])[cH:24][cH:25]2)=[O:28])[CH3:29])[cH:6][cH:7]1