HRID2135399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11745

Ethyl 2-bromoisobutyrate

C6H11BrO2

HCID166653

Hydride

H-

HCID15038903

未命名化合物

结构：CC(C)(C=Cc1ccc(OCc2ccccc2)c[n+]1[O-])Oc1ccc(C#N)cc1

HCID54393685

未命名化合物

PRODUCTS

生成物

HCID205808

Propanoic acid, 2-(4-cyanophenoxy)-2-methyl-, ethyl ester

C13H15NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16ba04a5a79a42869756d8b7653370a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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