HRID1205742

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID74372

Benzoyl chloride, 4-(1,1-dimethylethyl)-

C11H13ClO

HCID22170450

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3ncccc3Cl)cc2)cc1

HCID11303033

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42f03641a181484394d4f30c2e4ba229
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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