HRID2332344

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

HCID21444164

未命名化合物

HCID68817243

Methyl 2-amino-4,6-dibromobenzoate

C8H7Br2NO2

PRODUCTS

生成物

结构：COC(=O)c1c(Br)cc(Br)cc1NC(=O)C(C)c1ccc(OC)c([N+](=O)[O-])c1

HCID68817745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-249e613ff35d4938b3218709c194aff9
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

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