HRID148002

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7514

N-Methylcyclohexanamine

C7H15N

HCID85570

Tosylate

C7H7O3S-

结构：CC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(OS(=O)(=O)C(F)(F)F)c2C1

HCID59333760

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCc2nc(Nc3ccc(-c4cnco4)cc3)nc(N(C)C3CCCCC3)c2C1

HCID46199898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c26529d6ba9449dba12f001c3bd53f97
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][NH:2][CH:3]1[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1.[F:9][C:10]([F:11])([F:12])[S:13]([O:14][c:15]1[c:16]2[c:17]([n:18][c:19]([NH:21][c:22]3[cH:23][cH:24][c:25](-[c:28]4[cH:29][n:30][cH:31][o:32]4)[cH:26][cH:27]3)[n:20]1)[CH2:33][CH2:34][N:35]([C:37]([CH3:38])=[O:39])[CH2:36]2)(=[O:40])=[O:41].[O-:42][S:43]([c:44]1[cH:45][cH:46][c:47]([CH3:48])[cH:49][cH:50]1)(=[O:51])=[O:52]>>[CH3:1][N:2]([CH:3]1[CH2:4][CH2:5][CH2:6][CH2:7][CH2:8]1)[c:15]1[c:16]2[c:17]([n:18][c:19]([NH:21][c:22]3[cH:23][cH:24][c:25](-[c:28]4[cH:29][n:30][cH:31][o:32]4)[cH:26][cH:27]3)[n:20]1)[CH2:33][CH2:34][N:35]([C:37]([CH3:38])=[O:39])[CH2:36]2