HRID299534

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID10214710

未命名化合物

HCID22123322

4-Nitro-1-benzothiophene-2-carboxylic acid

C9H5NO4S

PRODUCTS

生成物

结构：COc1c(NC(=O)c2cc3c([N+](=O)[O-])cccc3s2)cc(C(C)(C)C)cc1NS(C)(=O)=O

HCID11754781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3da1eb08738e4f7f88ff623d058fc1e5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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