HRID677640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID962

Water

H2O

4 次

HCID15413

Methyl tert-butyl ether

C5H12O

HCID28486

Lithium ion

Li+

HCID104727

Aluminum Cation

Al+3

HCID166653

Hydride

H-

4 次

HCID3806114

未命名化合物

结构：CC(C)(C)c1cc2c(cc1NC(=O)c1c[nH]c3ccccc3c1=O)OC(=O)C2(C)C

HCID59544159

N-(5-tert-Butyl-3,3-dimethyl-2-oxo-2,3-dihydro-1-benzofuran-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxamide

C24H24N2O4

PRODUCTS

生成物

结构：CC(C)(C)c1cc(C(C)(C)CO)c(O)cc1NC(=O)c1c[nH]c2ccccc2c1=O

HCID46897962

N-[2-tert-Butyl-5-hydroxy-4-(1-hydroxy-2-methylpropan-2-yl)phenyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide

C24H28N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b4ffc75fc0ce4badae0a906074cf8494
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Al+3:32].[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([NH:17][C:18](=[O:19])[c:20]2[cH:21][nH:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]3[c:29]2=[O:30])[cH:7][c:8]2[c:9]([cH:16]1)[C:10]([CH3:14])([CH3:15])[C:11](=[O:13])[O:12]2.[C:53]([O:54][CH3:55])([CH3:56])([CH3:57])[CH3:58].[H-:31].[H-:34].[H-:35].[H-:36].[K+:52].[Li+:33].[Na+:51].[OH2:37].[OH2:38].[OH2:39].[OH2:40].[OH:41][CH:42]([CH:43]([OH:44])[C:45]([O-:46])=[O:47])[C:48]([O-:49])=[O:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([NH:17][C:18](=[O:19])[c:20]2[cH:21][nH:22][c:23]3[cH:24][cH:25][cH:26][cH:27][c:28]3[c:29]2=[O:30])[cH:7][c:8]([OH:12])[c:9]([C:10]([CH2:11][OH:13])([CH3:14])[CH3:15])[cH:16]1