HRID99429

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

HCID3283

Diethyl Ether

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID9993

1-Bromo-4-fluorobenzene

C6H4BrF

HCID62493

2,2-Dimethylpropanoyl chloride

C5H9ClO

HCID821218

1-Oxo-1,3-dihydro-2-benzofuran-5-carbonitrile

C9H5NO2

HCID5462224

Magnesium

HCID178505839

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)OCc1cc(C#N)ccc1C(=O)c1ccc(F)cc1

HCID11302208

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-361904cc02a4420e9a0c3eca17719e96
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br-:1].[C:19](#[N:20])[c:21]1[cH:22][c:23]2[c:28]([cH:29][cH:30]1)[C:26](=[O:27])[O:25][CH2:24]2.[C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])(=[O:36])[Cl:37].[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH2:45]([O:46][CH2:47][CH3:48])[CH3:49].[Cl-:38].[F:10][c:11]1[cH:12][cH:13][c:14]([Br:15])[cH:16][cH:17]1.[F:2][c:3]1[cH:4][cH:5][c:6]([Mg+:9])[cH:7][cH:8]1.[Mg:18].[NH4+:39]>>[F:2][c:3]1[cH:4][cH:5][c:6]([C:26](=[O:27])[c:28]2[c:23]([CH2:24][O:25][C:31]([C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[cH:22][c:21]([C:19]#[N:20])[cH:30][cH:29]2)[cH:7][cH:8]1