HRID678422

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2783330

3-bromo-5-fluorobenzonitrile

C7H3BrFN

HCID23509642

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2cc(F)cc(C#N)c2)cc2c1NC(=O)OC2(C)C

HCID23509614

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f74755bee6147fdbc86caaf7369d501
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][c:4]([O:15][CH3:16])[c:5]2[c:6]([cH:14]1)[C:7]([CH3:12])([CH3:13])[O:8][C:9](=[O:11])[NH:10]2.[Br:22][c:23]1[cH:24][c:25]([C:26]#[N:27])[cH:28][c:29]([F:31])[cH:30]1.[CH3:18][C:19](=[O:20])[O-:21].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[K+:17].[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:43]>>[c:2]1(-[c:23]2[cH:24][c:25]([C:26]#[N:27])[cH:28][c:29]([F:31])[cH:30]2)[cH:3][c:4]([O:15][CH3:16])[c:5]2[c:6]([cH:14]1)[C:7]([CH3:12])([CH3:13])[O:8][C:9](=[O:11])[NH:10]2