HRID158485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID2734706

4-(Hydroxymethyl)phenylboronic acid

C7H9BO3

结构：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1Br

HCID59206087

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)cc1-c1ccc(CO)cc1

HCID59205970

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77173ef5748c495d9b40dd7f2e4a1c90
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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