HRID2135166

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7892

2-Methylpentane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID93655

4-Chloro-2-fluorobenzonitrile

C7H3ClFN

HCID166653

Hydride

H-

HCID70144327

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCC(Oc1cc(Cl)ccc1C#N)c1nccs1

HCID178453532

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aa3506a5bd72426784881564ac81aadf
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

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