HRID87235

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID19576797

1-(Propan-2-yl)-1H-pyrazol-3-amine

C6H11N3

结构：Cn1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1

HCID67189692

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ccc(NC(=O)C(CC2CCCC2)c2ccc(S(C)(=O)=O)c(Cl)c2)n1

HCID67190502

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f21fd4682de848fbaa84d953cb21f44d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:51]([Cl:52])[Cl:53].[CH:42]([CH3:43])([CH3:44])[n:45]1[n:46][c:47]([NH2:50])[cH:48][cH:49]1.[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:15][c:16]2[cH:17][cH:18][n:19]([CH3:20])[n:21]2)[CH2:22][CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11].[Cl:28][C:29]([C:30]([Cl:31])=[O:32])=[O:33].[n:34]1[c:35]([CH3:36])[cH:37][cH:38][cH:39][c:40]1[CH3:41]>>[Cl:1][c:2]1[cH:3][c:4]([CH:12]([C:13](=[O:14])[NH:50][c:47]2[n:46][n:45]([CH:42]([CH3:43])[CH3:44])[cH:49][cH:48]2)[CH2:22][CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27]2)[cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[CH3:11]