HRID2320737

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID49853478

1-[3-(Methanesulfonyl)propyl]piperazine

C8H18N2O2S

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

HCID72455723

未命名化合物

PRODUCTS

生成物

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

HCID67071343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e5f0c50e6cb4d73a0db74982a54137f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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