HRID312615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(c1ccc(Oc2ccc(C#N)cc2F)cc1Cl)C(O)(c1ccc(=O)n(C)c1)C(F)(F)F

HCID25210582

未命名化合物

PRODUCTS

生成物

结构：CC(c1ccc(Oc2ccc(C(=O)O)cc2F)cc1Cl)C(O)(c1ccc(=O)n(C)c1)C(F)(F)F

HCID66782497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3bba51b92164e0d8cc1b4234c6e6c89
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[c:7]([F:14])[cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13]2)[cH:15][cH:16][c:17]1[CH:18]([C:19]([C:20]([F:21])([F:22])[F:23])([c:24]1[cH:25][n:26]([CH3:31])[c:27](=[O:30])[cH:28][cH:29]1)[OH:32])[CH3:33].[ClH:41].[K+:43].[O:34]1[CH2:35][CH2:36][O:37][CH2:38][CH2:39]1.[OH-:42].[OH2:40]>>[Cl:1][c:2]1[cH:3][c:4]([O:5][c:6]2[c:7]([F:14])[cH:8][c:9]([C:10](=[O:40])[OH:42])[cH:12][cH:13]2)[cH:15][cH:16][c:17]1[CH:18]([C:19]([C:20]([F:21])([F:22])[F:23])([c:24]1[cH:25][n:26]([CH3:31])[c:27](=[O:30])[cH:28][cH:29]1)[OH:32])[CH3:33]