HRID299270

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID15413

Methyl tert-butyl ether

C5H12O

HCID61011

1,3-Propanediamine, N,N-diethyl-

C7H18N2

结构：CCOC(=O)Cn1ncc(-c2ccc(F)cc2)c1-c1ccccc1

HCID14699557

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)CCCNC(=O)Cn1ncc(-c2ccc(F)cc2)c1-c1ccccc1

HCID14699594

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96573b6423f2460092642025ef0a2c37
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:25]([O:26][CH3:27])([CH3:28])([CH3:29])[CH3:30].[CH2:37]([CH3:38])[N:39]([CH2:40][CH2:41][CH2:42][NH2:43])[CH2:44][CH3:45].[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][n:10][n:11]([CH2:19][C:20](=[O:21])[O:22][CH2:23][CH3:24])[c:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][n:10][n:11]([CH2:19][C:20](=[O:21])[NH:43][CH2:42][CH2:41][CH2:40][N:39]([CH2:37][CH3:38])[CH2:44][CH3:45])[c:12]2-[c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[cH:6][cH:7]1