HRID682204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID88246

Isoxazole, 4-(chloromethyl)-3,5-dimethyl-

C6H8ClNO

结构：Cn1c(=O)[nH]c2nn(Cc3cccc4ccccc34)c(-c3cccc(C(=O)O)c3)c2c1=O

HCID136334115

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(C)c1Cn1c(=O)n(C)c(=O)c2c(-c3cccc(C(=O)O)c3)n(Cc3cccc4ccccc34)nc21

HCID58981044

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-241891fe77244694a6cfe5195d3ff58f
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

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