HRID1118753

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID31275

1,4-Dioxane

C4H8O2

HCID14564358

1-[(4-Methoxyphenyl)methyl]-5,6-dihydropyridin-2(1H)-one

C13H15NO2

结构：Cc1cc([N+](=O)[O-])c(C)cc1B1OC(C)(C)C(C)(C)O1

HCID67155552

2-(2,5-Dimethyl-4-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C14H20BNO4

PRODUCTS

生成物

结构：COc1ccc(CN2CCC(c3cc(C)c([N+](=O)[O-])cc3C)CC2=O)cc1

HCID67155341

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee1e7f363d404f52a6ad2b3864ad6564
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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