HRID125559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID68016

Benzeneacetonitrile, 4-fluoro-

C8H6FN

HCID3280088

未命名化合物

HCID4156106

未命名化合物

PRODUCTS

生成物

结构：N#CC(C(=O)c1cccc(C(F)(F)F)n1)c1ccc(F)cc1

HCID21992641

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30d4d9026d28446c828607df826bd2ce
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

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