HRID1231982

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID962

Water

H2O

HCID15413

Methyl tert-butyl ether

C5H12O

结构：N#Cc1ccc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID2724469

未命名化合物

HCID18605855

3-(4-Pentylcyclohexyl)propanal

C14H26O

PRODUCTS

生成物

HCID54390315

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ad388f0c30745afad4ea9b1999ce772
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br-:16].[C:17](#[N:18])[c:19]1[cH:20][cH:21][c:22]([CH2:23][P+:24]([c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44]1.[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[CH:6]1[CH2:7][CH2:8][CH:9]([CH2:12][CH2:13][CH:14]=[O:15])[CH2:10][CH2:11]1.[CH3:45][O:46][C:47]([CH3:48])([CH3:49])[CH3:50].[OH2:51]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH3:5])[CH:6]1[CH2:7][CH2:8][CH:9]([CH2:12][CH2:13][CH:14]=[CH:23][c:22]2[cH:21][cH:20][c:19]([C:17]#[N:18])[cH:44][cH:43]2)[CH2:10][CH2:11]1