HRID177292

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID16502

3′-Bromoacetophenone

C8H7BrO

HCID61668

Boronic acid

H3BO2

结构：COc1ccccc1CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID69166809

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cccc(C(C)=O)c2)cc1CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID59683630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46d7a093c2a2480a97c43fa1743feba5
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

[BH:1]([OH:2])[OH:3].[Br:29][c:30]1[cH:31][c:32]([C:36]([CH3:37])=[O:38])[cH:33][cH:34][cH:35]1.[C:4](=[O:5])([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[N:11]([CH:12]1[CH2:13][CH2:14][CH:15]([NH:18][CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]2[O:26][CH3:27])[CH2:16][CH2:17]1)[CH3:28]>>[C:4](=[O:5])([O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[N:11]([CH:12]1[CH2:13][CH2:14][CH:15]([NH:18][CH2:19][c:20]2[cH:21][c:22](-[c:30]3[cH:31][c:32]([C:36]([CH3:37])=[O:38])[cH:33][cH:34][cH:35]3)[cH:23][cH:24][c:25]2[O:26][CH3:27])[CH2:16][CH2:17]1)[CH3:28]