HRID1114197

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7892

2-Methylpentane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID3024915

N-(2,2-dimethoxyethyl)cyclohexanamine

C10H21NO2

结构：C=CCn1cc(-c2cccc(CCOCCC(=O)OC(C)(C)C)c2)nn1

HCID59290465

未命名化合物

PRODUCTS

生成物

结构：C=CCn1cc(-c2cccc(CCOCCC(=O)N(CC(OC)OC)C3CCCCC3)c2)nn1

HCID59290481

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f244edb8d6344ca4bea8e3370807888e
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

[CH2:1]([CH:2]=[CH2:3])[n:4]1[n:5][n:6][c:7](-[c:9]2[cH:10][c:11]([CH2:12][CH2:13][O:14][CH2:15][CH2:16][C:17]([O:19][C:18]([CH3:20])([CH3:21])[CH3:22])=[O:23])[cH:24][cH:25][cH:26]2)[cH:8]1.[CH3:27][O:28][CH:29]([CH2:30][NH:31][CH:32]1[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]1)[O:38][CH3:39].[CH3:40][CH2:41][O:42][C:43](=[O:44])[CH3:45].[CH3:46][CH2:47][CH2:48][CH:49]([CH3:50])[CH3:51]>>[CH2:1]([CH:2]=[CH2:3])[n:4]1[n:5][n:6][c:7](-[c:9]2[cH:10][c:11]([CH2:12][CH2:13][O:14][CH2:15][CH2:16][C:17](=[O:19])[N:31]([CH2:30][CH:29]([O:28][CH3:27])[O:38][CH3:39])[CH:32]3[CH2:33][CH2:34][CH2:35][CH2:36][CH2:37]3)[cH:24][cH:25][cH:26]2)[cH:8]1