HRID1129862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID996

Phenol

C6H6O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID19660

Carbonate

CO3-2

HCID75590

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

C14H8ClNO3

HCID89569

2,2-Dimethylhexane-1,3-diol

C8H18O2

PRODUCTS

生成物

结构：CCCC(O)C(C)(C)COc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O

HCID21524100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8c2f6f9738ac42888b94683cdb3168a4
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:37](=[O:38])([O-:39])[O-:40].[CH3:1][C:2]([CH2:3][OH:4])([CH:5]([CH2:6][CH2:7][CH3:8])[OH:9])[CH3:10].[CH3:43][OH:44].[CH3:45][N:46]1[CH2:47][CH2:48][CH2:49][C:50]1=[O:51].[K+:41].[K+:42].[NH2:11][c:12]1[c:13]([Cl:29])[cH:14][c:15]([OH:28])[c:16]2[c:25]1[C:24](=[O:26])[c:23]1[c:18]([cH:19][cH:20][cH:21][cH:22]1)[C:17]2=[O:27].[OH:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1>>[CH3:1][C:2]([CH2:3][O:4][c:13]1[c:12]([NH2:11])[c:25]2[c:16]([c:15]([OH:28])[cH:14]1)[C:17](=[O:27])[c:18]1[cH:19][cH:20][cH:21][cH:22][c:23]1[C:24]2=[O:26])([CH:5]([CH2:6][CH2:7][CH3:8])[OH:9])[CH3:10]