HRID212847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID61668

Boronic acid

H3BO2

HCID2734343

2,6-Dimethoxyphenylboronic acid

C8H11BO4

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：COc1cc2c(cc1-c1c(OC)cccc1OC)C(c1cccc(C#N)c1)=NCC(=O)N2C

HCID57478646

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7559e37f34f4406ebf97e73492eae064
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: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[c:37]([B:44]([OH:45])[OH:46])[c:38]([O:42][CH3:43])[cH:39][cH:40][cH:41]1.[cH:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[c:2]1(-[c:37]2[c:36]([O:35][CH3:34])[cH:41][cH:40][cH:39][c:38]2[O:42][CH3:43])[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