HRID2340144

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8900

Heptane

C7H16

HCID117787

Cyclopropanemethanamine, N-propyl-

C7H15N

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C

HCID59702320

未命名化合物

PRODUCTS

生成物

结构：CCCN(CC1CC1)C(=O)c1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C

HCID59702295

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbf4f99a301a4b3aa1b9c4f19367803e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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