HRID2329675

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

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

HCID68712167

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(NS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3oc4ccc(C(C)=O)c(OC)c4c3C)cc2)cc1)C(C)C

HCID68715683

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-742f38fd3e3746068431aa554786aa95
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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