HRID120254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID96387

4-Phenylpiperidin-4-ol

C11H15NO

HCID7925562

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2ccc(N3CCC(O)(c4ccccc4)CC3)nc2)cc1I

HCID59318091

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3dd1342f9fe042dbac620ed91a747217
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:41][N:42]([c:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1)[CH3:49].[CH:19]([N:20]([CH:21]([CH3:22])[CH3:23])[CH2:24][CH3:25])([CH3:26])[CH3:27].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([I:16])[c:12]([CH3:15])[cH:13][cH:14]2)[cH:17][cH:18]1.[O:50]1[CH2:51][CH2:52][O:53][CH2:54][CH2:55]1.[OH:28][C:29]1([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]1>>[c:2]1([N:32]2[CH2:31][CH2:30][C:29]([OH:28])([c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[CH2:34][CH2:33]2)[n:3][cH:4][c:5]([C:6](=[O:7])[NH:8][c:9]2[cH:10][c:11]([I:16])[c:12]([CH3:15])[cH:13][cH:14]2)[cH:17][cH:18]1