HRID1117950

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID11736040

O-(3,5-dichlorophenyl)hydroxylamine

C6H5Cl2NO

结构：CC(C)(C)C(=O)Nc1nc2c(c(NC(=O)C(C)(C)C)n1)CC(=O)CC2

HCID19705190

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)Nc1nc2c(c(NC(=O)C(C)(C)C)n1)CC(=NOc1cc(Cl)cc(Cl)c1)CC2

HCID53672281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a74192cf5bcd44e1a345d49522c4b5bf
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

[CH3:1][C:2]([CH3:3])([CH3:4])[C:5](=[O:6])[NH:7][c:8]1[n:9][c:10]2[c:15]([c:16]([NH:18][C:19](=[O:20])[C:21]([CH3:22])([CH3:23])[CH3:24])[n:17]1)[CH2:14][C:13](=[O:25])[CH2:12][CH2:11]2.[CH3:36][CH2:37][OH:38].[Cl:26][c:27]1[cH:28][c:29]([O:34][NH2:35])[cH:30][c:31]([Cl:33])[cH:32]1>>[CH3:1][C:2]([CH3:3])([CH3:4])[C:5](=[O:6])[NH:7][c:8]1[n:9][c:10]2[c:15]([c:16]([NH:18][C:19](=[O:20])[C:21]([CH3:22])([CH3:23])[CH3:24])[n:17]1)[CH2:14][C:13](=[N:35][O:34][c:29]1[cH:28][c:27]([Cl:26])[cH:32][c:31]([Cl:33])[cH:30]1)[CH2:12][CH2:11]2