HRID197809

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID11205

Carbon tetrabromide

CBr4

HCID11776

Triphenylphosphine

C18H15P

结构：CCCCCC(C=O)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C

HCID86589026

未命名化合物

PRODUCTS

生成物

结构：CCCCCC(C=C(Br)Br)c1ccc2c(c1)N(C(=O)OC(C)(C)C)CCC2(C)C

HCID86589027

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3176347d9b354c15a2eb89b386068ae3
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

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