HRID679989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID11139395

3-tert-Butyl-1-(4-methoxyphenyl)-1H-pyrazol-5-amine

C14H19N3O

HCID57455173

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)c2cccc3cc(Oc4cc(Cl)ncn4)ccc23)cc1

HCID86761527

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1de9ba6a995415ba955525f363054fd
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:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH2:18])[n:8](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[n:9]1.[C:46](=[O:47])([O-:48])[O-:49].[Cl:19][c:20]1[cH:21][c:22]([O:26][c:27]2[cH:28][c:29]3[cH:30][cH:31][cH:32][c:33]([C:37](=[O:38])[Cl:39])[c:34]3[cH:35][cH:36]2)[n:23][cH:24][n:25]1.[Cl:52][CH2:53][Cl:54].[Na+:50].[Na+:51].[cH:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:18][C:37]([c:33]2[cH:32][cH:31][cH:30][c:29]3[cH:28][c:27]([O:26][c:22]4[cH:21][c:20]([Cl:19])[n:25][cH:24][n:23]4)[cH:36][cH:35][c:34]32)=[O:38])[n:8](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[n:9]1