HRID1233093

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8857

Ethyl acetate

C4H8O2

HCID31275

1,4-Dioxane

C4H8O2

结构：CCOC(=O)Cc1cncc(-c2ccc(C(F)(F)F)cc2CN(CC)C(=O)OC(C)(C)C)c1

HCID67212500

未命名化合物

PRODUCTS

生成物

结构：CCNCc1cc(C(F)(F)F)ccc1-c1cncc(CC(=O)OCC)c1

HCID67212445

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47b71f385bf04fa5b60aa43525f7216c
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

[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][n:8][cH:9][c:10](-[c:12]2[c:13]([CH2:22][N:23]([CH2:24][CH3:25])[C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[cH:11]1)=[O:33].[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[CH3:35][CH2:36][O:37][C:38]([CH3:39])=[O:40].[ClH:34]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][c:6]1[cH:7][n:8][cH:9][c:10](-[c:12]2[c:13]([CH2:22][NH:23][CH2:24][CH3:25])[cH:14][c:15]([C:18]([F:19])([F:20])[F:21])[cH:16][cH:17]2)[cH:11]1)=[O:33]