HRID114671

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID66893618

未命名化合物

HCID87195066

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=C(CNC(CC(C)C(F)(F)F)C(=O)OC)Oc1ccccc1Cl

HCID66894452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b63e61fc171348209353e17349cccd55
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

[CH2:24]([CH3:25])[O:26][C:27]([CH:28]=[C:29]([CH2:30][Br:31])[O:32][c:33]1[c:34]([Cl:39])[cH:35][cH:36][cH:37][cH:38]1)=[O:40].[CH3:2][O:3][C:4]([CH:5]([CH2:6][CH:7]([C:8]([F:9])([F:10])[F:11])[CH3:12])[NH2:13])=[O:14].[CH3:41][C:42]#[N:43].[CH:15]([N:16]([CH2:17][CH3:18])[CH:19]([CH3:20])[CH3:21])([CH3:22])[CH3:23].[ClH:1]>>[CH3:2][O:3][C:4]([CH:5]([CH2:6][CH:7]([C:8]([F:9])([F:10])[F:11])[CH3:12])[NH:13][CH2:30][C:29](=[CH:28][C:27]([O:26][CH2:24][CH3:25])=[O:40])[O:32][c:33]1[c:34]([Cl:39])[cH:35][cH:36][cH:37][cH:38]1)=[O:14]