HRID1218780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc(N)cc2)cc1)C(C)C

HCID66909162

未命名化合物

HCID68716342

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3oc4cccc(-c5ccccc5)c4c3C)cc2)cc1)C(C)C

HCID68717100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63ac6a6c85064efeb83552b53668a259
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([C:17](=[O:18])[OH:19])[o:4][c:5]2[c:6]1[c:7](-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[cH:8][cH:9][cH:10]2.[CH3:26][O:27][C:28]([CH:29]([CH:30]([CH3:31])[CH3:32])[NH:33][S:34](=[O:35])(=[O:36])[c:37]1[cH:38][cH:39][c:40](-[c:43]2[cH:44][cH:45][c:46]([NH2:49])[cH:47][cH:48]2)[cH:41][cH:42]1)=[O:50].[CH3:51][N:52]([CH3:53])[c:54]1[cH:55][cH:56][n:57][cH:58][cH:59]1.[Cl:20][C:21]([C:22]([Cl:23])=[O:24])=[O:25].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64]>>[CH3:1][c:2]1[c:3]([C:17](=[O:18])[NH:49][c:46]2[cH:45][cH:44][c:43](-[c:40]3[cH:39][cH:38][c:37]([S:34]([NH:33][CH:29]([C:28]([O:27][CH3:26])=[O:50])[CH:30]([CH3:31])[CH3:32])(=[O:35])=[O:36])[cH:42][cH:41]3)[cH:48][cH:47]2)[o:4][c:5]2[c:6]1[c:7](-[c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[cH:8][cH:9][cH:10]2