HRID1567758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6323

Methyl bromide

CH3Br

HCID14487

Diisobutylaluminum hydride

C8H19Al

HCID519831

3-Benzyloxyphenylacetonitrile

C15H13NO

HCID20496863

2-[3-(Benzyloxy)phenyl]-2-methylpropanenitrile

C17H17NO

PRODUCTS

生成物

HCID19855359

2-[3-(Benzyloxy)phenyl]-2-methylpropanal

C17H18O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40cb875301174adda2dce44d7cf22938
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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