HRID292951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID61668

Boronic acid

H3BO2

HCID5084099

2-Isopropoxyphenylboronic acid

C9H13BO3

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-c1ccccc1OC(C)C)C(c1cccc(C#N)c1)=NCC(=O)N2C

HCID11419285

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da02f06527bc4e3a942e029342f7ac49
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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.[CH:34]([CH3:35])([CH3:36])[O:37][c:38]1[c:39]([B:44]([OH:45])[OH:46])[cH:40][cH:41][cH:42][cH:43]1.[cH:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1>>[c:2]1(-[c:39]2[c:38]([O:37][CH:34]([CH3:35])[CH3:36])[cH:43][cH:42][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