HRID135086

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13394

m-Hydroxybenzonitrile

C7H5NO

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID2734325

3-Cyanophenylboronic acid

C7H6BNO2

HCID22613903

Methyl 3-bromo-5-methylbenzoate

C9H9BrO2

HCID22613911

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(COc2cccc(C#N)c2)cc(-c2cccc(C#N)c2)c1

HCID22613902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b96c1bfd3b68441298de82053677d37c
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

[Br:12][c:13]1[cH:14][c:15]([C:20]([O:21][CH3:22])=[O:23])[cH:16][c:17]([CH3:18])[cH:19]1.[C:1]([c:2]1[cH:3][c:4]([B:5]([OH:6])[OH:7])[cH:8][cH:9][cH:10]1)#[N:11].[C:24](#[N:25])[c:26]1[cH:27][c:28](-[c:32]2[cH:33][c:34]([C:39](=[O:40])[O:41][CH3:42])[cH:35][c:36]([CH3:38])[cH:37]2)[cH:29][cH:30][cH:31]1.[O:43]=[C:44]1[N:45]([Br:46])[C:47](=[O:48])[CH2:49][CH2:50]1.[OH:51][c:52]1[cH:53][c:54]([C:55]#[N:56])[cH:57][cH:58][cH:59]1>>[C:24](#[N:25])[c:26]1[cH:27][c:28](-[c:32]2[cH:33][c:34]([C:39](=[O:40])[O:41][CH3:42])[cH:35][c:36]([CH2:38][O:51][c:52]3[cH:53][c:54]([C:55]#[N:56])[cH:57][cH:58][cH:59]3)[cH:37]2)[cH:29][cH:30][cH:31]1