HRID312757

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6925

2-Methylbenzenesulfonic acid

C7H8O3S

HCID85689

Hexahydrophthalic anhydride

C8H10O3

结构：Cc1cc(N)c(C)c(Br)c1Oc1ccc([N+](=O)[O-])cc1Cl

HCID19841457

3-Bromo-4-(2-chloro-4-nitrophenoxy)-2,5-dimethylbenzenamine

C14H12BrClN2O3

PRODUCTS

生成物

结构：Cc1cc(N2C(=O)C3CCCCC3C2=O)c(C)c(Br)c1Oc1ccc([N+](=O)[O-])cc1Cl

HCID19841468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1775da73334d46bcb7b23689e451f9df
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

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