HRID164660

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7730

Benzene, 1-bromo-4-methoxy-

C7H7BrO

HCID8003

Pentane

C5H12

HCID81522

Benzoyl chloride, 2-chloro-4-nitro-

C7H3Cl2NO3

HCID105143

未命名化合物

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

3 次

PRODUCTS

生成物

结构：COc1ccc(Br)cc1C(=O)c1ccc([N+](=O)[O-])cc1Cl

HCID68418361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c21731ee8cb0453f95bb3bac2d7b4e30
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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