HRID153209

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID53167

1-Methylpiperazine

C5H12N2

结构：Cc1ncccc1-c1cc(Cl)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID21083635

未命名化合物

PRODUCTS

生成物

结构：Cc1ncccc1-c1cc(N2CCN(C)CC2)ncc1N(C)C(=O)C(C)(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID11556066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff57bece0e40452bb11d2f1e10cc655c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][N:2]1[CH2:3][CH2:4][NH:5][CH2:6][CH2:7]1.[CH3:43][N:44]([c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1)[CH3:51].[CH3:52][O:53][C:54]([CH3:55])([CH3:56])[CH3:57].[F:8][C:9]([c:10]1[cH:11][c:12]([C:20]([C:21](=[O:22])[N:23]([CH3:24])[c:25]2[cH:26][n:27][c:28]([Cl:38])[cH:29][c:30]2-[c:31]2[c:32]([CH3:37])[n:33][cH:34][cH:35][cH:36]2)([CH3:39])[CH3:40])[cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]1)([F:41])[F:42]>>[CH3:1][N:2]1[CH2:3][CH2:4][N:5]([c:28]2[n:27][cH:26][c:25]([N:23]([C:21]([C:20]([c:12]3[cH:11][c:10]([C:9]([F:8])([F:41])[F:42])[cH:15][c:14]([C:16]([F:17])([F:18])[F:19])[cH:13]3)([CH3:39])[CH3:40])=[O:22])[CH3:24])[c:30](-[c:31]3[c:32]([CH3:37])[n:33][cH:34][cH:35][cH:36]3)[cH:29]2)[CH2:6][CH2:7]1