HRID1140662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID3764486

3,5-dimethoxy-4-methylbenzoic acid

C10H12O4

结构：CC(C)(C)OC(=O)NCc1ccc(CN)c([N+](=O)[O-])c1

HCID86595905

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NCc2ccc(CNC(=O)OC(C)(C)C)cc2[N+](=O)[O-])cc(OC)c1C

HCID86595906

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f1a59fa568a4136bce70511704b2347
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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