HRID86391

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID61668

Boronic acid

H3BO2

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

结构：COc1cc2c(cc1Br)C(c1cccc(C#N)c1)=NCC(=O)N2C

HCID69287738

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cc3c(cc2OC)N(C)C(=O)CN=C3c2cccc(C#N)c2)cc1

HCID11246900

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-db37f70be27645379fc77f4255aa0951
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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