HRID315497

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

HCID4198004

2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzonitrile

C12H14BNO2

HCID11349592

未命名化合物

PRODUCTS

生成物

结构：CCc1c(-c2ccccc2C#N)[nH]c(C=O)c1C(=O)OCc1ccccc1

HCID11245281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d3f43f04eb84b099b0e09e0c936f444
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

[CH2:1]([CH3:2])[c:3]1[c:4]([C:11](=[O:12])[O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:5]([CH:9]=[O:10])[nH:6][c:7]1[I:8].[CH3:31][C:32]1([CH3:33])[CH2:34][O:35][B:36]([c:38]2[c:39]([C:40]#[N:41])[cH:42][cH:43][cH:44][cH:45]2)[O:37][CH2:46]1.[OH:21][B:22]([c:23]1[cH:24][cH:25][c:26]([F:27])[cH:28][cH:29]1)[OH:30]>>[CH2:1]([CH3:2])[c:3]1[c:4]([C:11](=[O:12])[O:13][CH2:14][c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[c:5]([CH:9]=[O:10])[nH:6][c:7]1-[c:38]1[c:39]([C:40]#[N:41])[cH:42][cH:43][cH:44][cH:45]1