HRID672489

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID81531

Diisopropylethylamine

C8H19N

HCID2739087

3-(4-Chlorobenzene-1-sulfonyl)butanoic acid

C10H11ClO4S

HCID11368884

3-(4-Chlorophenyl)-4,5-dihydro-4-phenyl-1H-pyrazole

C15H13ClN2

PRODUCTS

生成物

结构：CC(CC(=O)N1CC(c2ccccc2)C(c2ccc(Cl)cc2)=N1)S(=O)(=O)c1ccc(Cl)cc1

HCID11214220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d75f252ed59348cd9e342f53a700a1a8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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