HRID1548099

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID11961968

2-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)ethanamine

C8H8ClF3N2

HCID86654759

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C#N)=C(NCCc1ncc(C(F)(F)F)cc1Cl)c1cccnc1Cl

HCID76759587

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8e5b189ba1d4db2a66f77fb9a26bb92
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[Cl:19][c:20]1[c:21]([CH2:30][CH2:31][NH2:32])[n:22][cH:23][c:24]([C:26]([F:27])([F:28])[F:29])[cH:25]1.[Cl:1][C:2](=[C:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[C:9]#[N:10])[c:11]1[c:12]([Cl:17])[n:13][cH:14][cH:15][cH:16]1.[ClH:18].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[C:2](=[C:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[C:9]#[N:10])([c:11]1[c:12]([Cl:17])[n:13][cH:14][cH:15][cH:16]1)[NH:32][CH2:31][CH2:30][c:21]1[c:20]([Cl:19])[cH:25][c:24]([C:26]([F:27])([F:28])[F:29])[cH:23][n:22]1