HRID1141473

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(S(=O)(=O)NC(C)(C)C)ccc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)Cl

HCID72455731

未命名化合物

PRODUCTS

生成物

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

HCID178467052

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4631a6b1bb404dc8a05eb1a350c11cd6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11]([O:39][CH2:40][CH3:41])[c:12]([C:15]2=[N:19][C:18]([CH3:20])([c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[C:17]([CH3:28])([c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[N:16]2[C:36](=[O:37])[Cl:38])[cH:13][cH:14]1.[CH3:44][S:45](=[O:46])(=[O:47])[CH2:48][CH2:49][CH2:50][N:51]1[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]1.[ClH:42].[ClH:43]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11]([O:39][CH2:40][CH3:41])[c:12]([C:15]2=[N:19][C:18]([CH3:20])([c:21]3[cH:22][cH:23][c:24]([Cl:27])[cH:25][cH:26]3)[C:17]([CH3:28])([c:29]3[cH:30][cH:31][c:32]([Cl:35])[cH:33][cH:34]3)[N:16]2[C:36](=[O:37])[N:54]2[CH2:53][CH2:52][N:51]([CH2:50][CH2:49][CH2:48][S:45]([CH3:44])(=[O:46])=[O:47])[CH2:56][CH2:55]2)[cH:13][cH:14]1