HRID293899

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID23394371

N-[2-(Piperazin-1-yl)ethyl]acetamide

C8H17N3O

结构：CCOc1cc(S(=O)(=O)N2CCCC2)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)Cl

HCID72455765

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(S(=O)(=O)N2CCCC2)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCNC(C)=O)CC1

HCID178467049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a72be08d7fd541fe8446e9dc63a459f6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:41])[N:9]=[C:10]([c:24]3[c:25]([O:38][CH2:39][CH3:40])[cH:26][c:27]([S:30](=[O:31])(=[O:32])[N:33]4[CH2:34][CH2:35][CH2:36][CH2:37]4)[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.[ClH:42].[ClH:43].[N:44]1([CH2:50][CH2:51][NH:52][C:53]([CH3:54])=[O:55])[CH2:45][CH2:46][NH:47][CH2:48][CH2:49]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:41])[N:9]=[C:10]([c:24]3[c:25]([O:38][CH2:39][CH3:40])[cH:26][c:27]([S:30](=[O:31])(=[O:32])[N:33]4[CH2:34][CH2:35][CH2:36][CH2:37]4)[cH:28][cH:29]3)[N:11]([C:21](=[O:22])[N:47]3[CH2:46][CH2:45][N:44]([CH2:50][CH2:51][NH:52][C:53]([CH3:54])=[O:55])[CH2:49][CH2:48]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