HRID92757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11355826

1-(Methanesulfonyl)piperidin-4-amine

C6H14N2O2S

结构：CCOc1cc(C(F)(F)F)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)Cl

HCID73408688

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(F)(F)F)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)NC1CCN(S(C)(=O)=O)CC1

HCID72455727

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e295e47b0a524729b6b5110c94632c45
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

[CH3:38][S:39](=[O:40])(=[O:41])[N:42]1[CH2:43][CH2:44][CH:45]([NH2:48])[CH2:46][CH2:47]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:37])[N:9]=[C:10]([c:24]3[c:25]([O:34][CH2:35][CH3:36])[cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[N:11]([C:21](=[O:22])[Cl:23])[C:12]2([CH3:13])[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:37])[N:9]=[C:10]([c:24]3[c:25]([O:34][CH2:35][CH3:36])[cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[N:11]([C:21](=[O:22])[NH:48][CH:45]3[CH2:44][CH2:43][N:42]([S:39]([CH3:38])(=[O:40])=[O:41])[CH2:47][CH2:46]3)[C:12]2([CH3:13])[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:6][cH:7]1