HRID200897

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID415294

1-(Ethanesulfonyl)piperazine

C6H14N2O2S

结构：CCOc1ccsc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(CC(=O)NC(C)(C)C)CC1

HCID143507140

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccsc1C1=NC(c2ccc(Cl)cc2)C(c2ccc(Cl)cc2)N1C(=O)N1CCN(S(=O)(=O)CC)CC1

HCID178467045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8713a621bdae4d8f85ab595099d79523
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

[CH2:44]([CH3:45])[S:46](=[O:47])(=[O:48])[N:49]1[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[N:9]=[C:10]([c:36]3[s:37][cH:38][cH:39][c:40]3[O:41][CH2:42][CH3:43])[N:11]([C:20](=[O:21])[N:22]3[CH2:23][CH2:24][N:25]([CH2:26][C:27]([NH:28][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:33])[CH2:34][CH2:35]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>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[N:9]=[C:10]([c:36]3[s:37][cH:38][cH:39][c:40]3[O:41][CH2:42][CH3:43])[N:11]([C:20](=[O:21])[N:52]3[CH2:51][CH2:50][N:49]([S:46]([CH2:44][CH3:45])(=[O:47])=[O:48])[CH2:54][CH2:53]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