HRID695989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID312

Chloride

Cl-

HCID2331

Benzamide

C7H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID18371

5-Methyl-2-nitrobenzoic acid

C8H7NO4

HCID24386

Thionyl chloride

Cl2OS

HCID19789880

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc([N+](=O)[O-])c(C(=O)NC2c3cc(OC(F)(F)F)ccc3OC(C)(C)C2O)c1

HCID19753271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2d140ed6df444c17ae0bf85654fbd4bf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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