HRID180045

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8085

2-Methyl-N-(2-methylpropyl)-1-propanamine

C8H19N

HCID31275

1,4-Dioxane

C4H8O2

结构：Cc1[nH]c2ccc(CCOS(C)(=O)=O)cc2c1C(=O)OCc1ccccc1

HCID23393852

未命名化合物

PRODUCTS

生成物

结构：Cc1[nH]c2ccc(CCN(CC(C)C)CC(C)C)cc2c1C(=O)OCc1ccccc1

HCID10202333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd248dd658134625a33fe528dc59a3e0
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

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