HRID950962

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID8471

Triethylamine

C6H15N

HCID49853478

1-[3-(Methanesulfonyl)propyl]piperazine

C8H18N2O2S

结构：CCOc1cc(C(C)(C)C)c(S(=O)(=O)N(C)C)cc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)Cl

HCID86612876

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(C(C)(C)C)c(S(=O)(=O)N(C)C)cc1C1=NC(C)(c2ccc(Cl)cc2)C(C)(c2ccc(Cl)cc2)N1C(=O)N1CCN(CCCS(C)(=O)=O)CC1

HCID178466298

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e186828c0082453b9be4332ba68681ab
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:41][CH2:42][CH3:43])[c:8]([C:17]2=[N:21][C:20]([CH3:22])([c:23]3[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[C:19]([CH3:30])([c:31]3[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]3)[N:18]2[C:38](=[O:39])[Cl:40])[cH:9][c:10]1[S:11]([N:12]([CH3:13])[CH3:14])(=[O:15])=[O:16].[CH3:46][S:47](=[O:48])(=[O:49])[CH2:50][CH2:51][CH2:52][N:53]1[CH2:54][CH2:55][NH:56][CH2:57][CH2:58]1.[CH3:59][CH2:60][N:61]([CH2:62][CH3:63])[CH2:64][CH3:65].[ClH:44].[ClH:45]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([O:41][CH2:42][CH3:43])[c:8]([C:17]2=[N:21][C:20]([CH3:22])([c:23]3[cH:24][cH:25][c:26]([Cl:29])[cH:27][cH:28]3)[C:19]([CH3:30])([c:31]3[cH:32][cH:33][c:34]([Cl:37])[cH:35][cH:36]3)[N:18]2[C:38](=[O:39])[N:56]2[CH2:55][CH2:54][N:53]([CH2:52][CH2:51][CH2:50][S:47]([CH3:46])(=[O:48])=[O:49])[CH2:58][CH2:57]2)[cH:9][c:10]1[S:11]([N:12]([CH3:13])[CH3:14])(=[O:15])=[O:16]