HRID96783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7761

Diethyl propanedioate

C7H12O4

HCID9084

Malonic acid, ion(2-)

C3H2O4-2

HCID166653

Hydride

H-

结构：O=C(c1ccc([N+](=O)[O-])cc1)c1ccc(Br)c([N+](=O)[O-])c1

HCID19708183

(4-Bromo-3-nitrophenyl)(4-nitrophenyl)methanone

C13H7BrN2O5

PRODUCTS

生成物

结构：CCOC(=O)C(C(=O)OCC)c1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]

HCID59256471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-430592e378d6405ea154dc5fd600485f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:14][c:15]1[c:16]([N+:32](=[O:33])[O-:34])[cH:17][c:18]([C:21](=[O:22])[c:23]2[cH:24][cH:25][c:26]([N+:29](=[O:30])[O-:31])[cH:27][cH:28]2)[cH:19][cH:20]1.[C:1]([CH2:2][C:3](=[O:4])[O:5][CH2:6][CH3:7])(=[O:8])[O:9][CH2:10][CH3:11].[C:35]([O-:36])(=[O:37])[CH2:38][C:39]([O-:40])=[O:41].[CH3:42][S:43]([CH3:44])=[O:45].[H-:13].[Na+:12].[OH2:46]>>[C:1]([CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[c:15]1[c:16]([N+:32](=[O:33])[O-:34])[cH:17][c:18]([C:21](=[O:22])[c:23]2[cH:24][cH:25][c:26]([N+:29](=[O:30])[O-:31])[cH:27][cH:28]2)[cH:19][cH:20]1)(=[O:8])[O:9][CH2:10][CH3:11]