HRID170447

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

2 次

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID17973091

未命名化合物

结构：COc1c(N)cc(C(C)(C)COC(C)=O)cc1NS(C)(=O)=O

HCID68886045

未命名化合物

PRODUCTS

生成物

结构：COc1c(NC(=O)c2ccc(C)c(N=[N+]=[N-])c2)cc(C(C)(C)COC(C)=O)cc1NS(C)(=O)=O

HCID58861402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ede3726752e446a5aea18bdeb3fb53ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[Cl-:20].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:51][CH2:52][Cl:53].[Cl:64][CH2:65][Cl:66].[N:7](=[N+:8]=[N-:9])[c:10]1[cH:11][c:12]([C:13](=[O:14])[OH:15])[cH:16][cH:17][c:18]1[CH3:19].[NH2:21][c:22]1[cH:23][c:24]([C:35]([CH2:36][O:37][C:38]([CH3:39])=[O:40])([CH3:41])[CH3:42])[cH:25][c:26]([NH:30][S:31](=[O:32])(=[O:33])[CH3:34])[c:27]1[O:28][CH3:29].[O:67]=[CH:68][N:69]([CH3:70])[CH3:71].[n:43]1[c:44]([CH3:45])[cH:46][cH:47][cH:48][c:49]1[CH3:50]>>[N:7](=[N+:8]=[N-:9])[c:10]1[cH:11][c:12]([C:13](=[O:15])[NH:21][c:22]2[cH:23][c:24]([C:35]([CH2:36][O:37][C:38]([CH3:39])=[O:40])([CH3:41])[CH3:42])[cH:25][c:26]([NH:30][S:31](=[O:32])(=[O:33])[CH3:34])[c:27]2[O:28][CH3:29])[cH:16][cH:17][c:18]1[CH3:19]