HRID115456

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID3947643

2‐{[2‐Chloro‐4‐(trifluoromethyl)phenyl]amino}‐3‐ methylbutanoic acid

C12H13ClF3NO2

HCID12879153

未命名化合物

PRODUCTS

生成物

结构：CC(C)C(Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OC(C#N)c1cccc(Oc2cccc(F)c2)n1

HCID54101824

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae98e49f58cb4d21aab4b764aa0d307b
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

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