HRID206799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID5943

Carbon tetrachloride

CCl4

HCID6344

Dichloromethane

CH2Cl2

HCID7187

Benzoyl peroxide

C14H10O4

HCID7530

3-Methylanisole

C8H10O

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

HCID68515

Benzoyl chloride, 4-bromo-

C7H4BrClO

HCID97534

tert-Butyl N-hydroxycarbamate

C5H11NO3

HCID166653

Hydride

H-

HCID11023132

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C(=O)c2ccc(Br)cc2)c(CONC(=O)OC(C)(C)C)c1

HCID10895395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d1b9e022cb3431fb519f79bda4f5444
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[c:10]2[c:11]([CH3:18])[cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[cH:6][cH:7]1.[Br:28][c:29]1[cH:30][cH:31][c:32]([C:33]([Cl:34])=[O:35])[cH:36][cH:37]1.[Br:38][N:39]1[C:40](=[O:41])[CH2:42][CH2:43][C:44]1=[O:45].[C:46]([O:47][O:48][C:49](=[O:50])[c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1)(=[O:57])[c:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1.[CH2:82]([Cl:83])[Cl:84].[CH3:19][c:20]1[cH:21][c:22]([O:23][CH3:24])[cH:25][cH:26][cH:27]1.[Cl-:75].[Cl:77][C:78]([Cl:79])([Cl:80])[Cl:81].[H-:73].[NH4+:76].[Na+:74].[OH:64][NH:65][C:66]([O:67][C:68]([CH3:69])([CH3:70])[CH3:71])=[O:72]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([C:8](=[O:9])[c:10]2[c:11]([CH2:18][O:64][NH:65][C:66]([O:67][C:68]([CH3:69])([CH3:70])[CH3:71])=[O:72])[cH:12][c:13]([O:16][CH3:17])[cH:14][cH:15]2)[cH:6][cH:7]1