HRID1203398

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID145525

3-Chloro-4-fluorobenzonitrile

C7H3ClFN

结构：CC(c1ccc(O)cc1Cl)C(O)(c1ccc(=O)n(C)c1)C(F)(F)F

HCID57421314

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(Oc2ccc(C#N)cc2Cl)cc1Cl)C(O)(c1ccc(=O)n(C)c1)C(F)(F)F

HCID57421315

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9108b94a2db846cfb2249f2fa39526c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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