HRID2162366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID10001

1-Propanamine, 3,3,3-trifluoro- (9CI)

C3H6F3N

结构：CC1(C)OC(C)(C)c2c1sc(NC(=O)c1c(F)cccc1C(F)(F)F)c2C(=O)O

HCID67300640

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC(C)(C)c2c1sc(NC(=O)c1c(F)cccc1C(F)(F)F)c2C(=O)NCCC(F)(F)F

HCID24772611

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a84b89a81ce34c5c8a4a0cad465f1e24
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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