HRID145779

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID11769829

4-(4-Formylcyclohexyl)benzonitrile

C14H15NO

结构：CCCCCc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID21285311

未命名化合物

PRODUCTS

生成物

结构：CCCCCc1ccc(C=CC2CCC(c3ccc(C#N)cc3)CC2)cc1

HCID54279685

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a7f0f4c06ed41a680cfd84cdf28b109
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

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