HRID2310946

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

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

HCID68716536

未命名化合物

PRODUCTS

生成物

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

HCID68714746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf22c316ada645f79bd869ac6046f91c
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

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([CH3:13])[c:8]([C:10](=[O:11])[OH:12])[o:9]2)[c:14]1[O:15][CH3:16].[CH3:23][O:24][C:25]([CH:26]([CH:27]([CH3:28])[CH3:29])[NH:30][S:31](=[O:32])(=[O:33])[c:34]1[cH:35][cH:36][c:37](-[c:40]2[cH:41][cH:42][c:43]([NH2:46])[cH:44][cH:45]2)[cH:38][cH:39]1)=[O:47].[CH3:48][N:49]([CH3:50])[c:51]1[cH:52][cH:53][n:54][cH:55][cH:56]1.[Cl:17][C:18]([C:19]([Cl:20])=[O:21])=[O:22].[Cl:57][CH2:58][Cl:59]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([c:7]([CH3:13])[c:8]([C:10](=[O:12])[NH:46][c:43]3[cH:42][cH:41][c:40](-[c:37]4[cH:36][cH:35][c:34]([S:31]([NH:30][CH:26]([C:25]([O:24][CH3:23])=[O:47])[CH:27]([CH3:28])[CH3:29])(=[O:32])=[O:33])[cH:39][cH:38]4)[cH:45][cH:44]3)[o:9]2)[c:14]1[O:15][CH3:16]