HRID195590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID49853478

1-[3-(Methanesulfonyl)propyl]piperazine

C8H18N2O2S

结构：CCOc1ccc(C(C)(C)C#N)cc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)Cl

HCID178466286

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc(C(C)(C)C#N)cc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1

HCID178466287

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2bad612dcfa14dd1a5274142e77fe9bc
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

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