HRID1121775

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID996

Phenol

C6H6O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID20524

3-Methyl-1,5-pentanediol

C6H14O2

HCID75590

9,10-Anthracenedione, 1-amino-2-chloro-4-hydroxy-

C14H8ClNO3

PRODUCTS

生成物

结构：CC(CCO)CCOc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O

HCID21524107

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-011f9e399a6142da975a07db4a5b70c0
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

[C:16](=[O:17])([O-:18])[O-:19].[CH3:1][CH:2]([CH2:3][CH2:4][OH:5])[CH2:6][CH2:7][OH:8].[CH3:41][N:42]1[CH2:43][CH2:44][CH2:45][C:46]1=[O:47].[K+:20].[K+:21].[NH2:22][c:23]1[c:24]([Cl:40])[cH:25][c:26]([OH:39])[c:27]2[c:36]1[C:35](=[O:37])[c:34]1[c:29]([cH:30][cH:31][cH:32][cH:33]1)[C:28]2=[O:38].[OH:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1>>[CH3:1][CH:2]([CH2:3][CH2:4][O:5][c:24]1[c:23]([NH2:22])[c:36]2[c:27]([c:26]([OH:39])[cH:25]1)[C:28](=[O:38])[c:29]1[cH:30][cH:31][cH:32][cH:33][c:34]1[C:35]2=[O:37])[CH2:6][CH2:7][OH:8]