HRID175919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID40274

N-(1,1-Dimethylethyl)-1,3-propanediamine

C7H18N2

HCID57434549

未命名化合物

PRODUCTS

产物

HCID59212729

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b189a420b3b2469a95b2e96f4b067e54
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

[CH3:38][C:39]([CH3:40])([CH3:41])[NH:42][CH2:43][CH2:44][CH2:45][NH2:46].[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:37])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([S:34]([CH3:35])=[O:36])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:24][c:25]3[s:26][cH:27][cH:28][n:29]3)[cH:30][cH:31][c:32]2[CH3:33])[c:4]([F:8])[cH:5][cH:6][cH:7]1>>[F:1][c:2]1[c:3](-[n:9]2[c:10](=[O:37])[cH:11][cH:12][c:13]3[c:14]2[n:15][c:16]([NH:46][CH2:45][CH2:44][CH2:43][NH:42][C:39]([CH3:38])([CH3:40])[CH3:41])[n:17][c:18]3-[c:19]2[cH:20][c:21]([C:22](=[O:23])[NH:24][c:25]3[s:26][cH:27][cH:28][n:29]3)[cH:30][cH:31][c:32]2[CH3:33])[c:4]([F:8])[cH:5][cH:6][cH:7]1