HRID666523

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID61778

Bisulfate anion

HO4S-

HCID19701556

α-[5-Bromo-2-(methoxymethoxy)phenyl]-3-(methoxymethoxy)-2-pyridineacetonitrile

C17H17BrN2O4

PRODUCTS

生成物

HCID19701597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d56c474533d74ca7a193095fe369b57b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([O:21][CH2:22][O:23][CH3:24])[c:6]([CH:7]([C:8]#[N:9])[c:10]2[n:11][cH:12][cH:13][cH:14][c:15]2[O:16][CH2:17][O:18][CH3:19])[cH:20]1.[C:25]([O-:26])(=[O:27])[O-:28].[CH2:41]([N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH3:57].[K+:29].[K+:30].[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[OH2:58].[S:36]([O-:37])([OH:38])(=[O:39])=[O:40]>>[Br:1][c:2]1[cH:3][cH:4][c:5]([O:21][CH2:22][O:23][CH3:24])[c:6]([C:7]([c:10]2[n:11][cH:12][cH:13][cH:14][c:15]2[O:16][CH2:17][O:18][CH3:19])=[O:26])[cH:20]1