HRID191378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

结构：CC(C)c1nc(CCOCc2ccccc2)n(Cc2ccc([N+](=O)[O-])cc2)c1Sc1cc(Cl)cc(Cl)c1

HCID17890774

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc(CCO)n(Cc2ccc([N+](=O)[O-])cc2)c1Sc1cc(Cl)cc(Cl)c1

HCID474067

1H-Imidazole-2-ethanol, 5-((3,5-dichlorophenyl)thio)-4-(1-methylethyl)-1-((4-nitrophenyl)methyl)-

C21H21Cl2N3O3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-266564a63b4f47c884b60b3815d4fc61
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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