HRID670473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID5943

Carbon tetrachloride

CCl4

HCID7187

Benzoyl peroxide

C14H10O4

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：Cc1ccc(C(=O)P(=O)(OC(C)(C)C)OC(C)(C)C)cc1

HCID54190661

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OP(=O)(OC(C)(C)C)C(=O)c1ccc(CBr)cc1

HCID54361205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c587499596e644dfb1c86053316d3555
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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