HRID154418

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID20582535

4-Iodopyridin-2(1H)-one

C5H4INO

结构：CC(c1ccc(B2OC(C)(C)C(C)(C)O2)cc1)N1CCC(CC(C)(C)C#N)(c2ccccc2)OC1=O

HCID72344350

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(-c2cc[nH]c(=O)c2)cc1)N1CCC(CC(C)(C)C#N)(c2ccccc2)OC1=O

HCID90710038

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30290eddd11a4f4baf6e16763f9a6b28
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

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