HRID1561265

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

3 次

HCID6344

Dichloromethane

CH2Cl2

HCID6375

Nitromethane

CH3NO2

HCID79846

Methyl chloroglyoxylate

C3H3ClO3

HCID104727

Aluminum Cation

Al+3

结构：COc1cnc(-n2cnc(NC(=O)C(C)(C)C)n2)c2[nH]ccc12

HCID59511460

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(=O)c1c[nH]c2c(-n3cnc(NC(=O)C(C)(C)C)n3)ncc(OC)c12

HCID68694028

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6373671e0cd84baa8d5b80de3a6ff449
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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