HRID1134496

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID2733265

4-Chloro-3-(trifluoromethyl)phenyl isocyanate

C8H3ClF3NO

HCID13412527

未命名化合物

结构：CCC(CC)(NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)OC

HCID13412529

未命名化合物

PRODUCTS

生成物

结构：CCC1(CC)NC(=O)N(c2ccc(Cl)c(C(F)(F)F)c2)C1=O

HCID3054229

Hydantoin, 3-(4-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-5,5-diethyl-

C14H14ClF3N2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a94024cb497495eba0966a242264c02
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:15][O:16][C:17](=[O:18])[C:19]([NH2:20])([CH2:21][CH3:22])[CH2:23][CH3:24].[CH3:25][O:26][C:27]([C:28]([CH2:29][CH3:30])([CH2:31][CH3:32])[NH:33][C:34]([NH:35][c:36]1[cH:37][c:38]([C:43]([F:44])([F:45])[F:46])[c:39]([Cl:42])[cH:40][cH:41]1)=[O:47])=[O:48].[CH3:49][C:50](=[O:51])[CH3:52].[Cl:1][c:2]1[cH:3][cH:4][c:5]([N:6]=[C:7]=[O:8])[cH:9][c:10]1[C:11]([F:12])([F:13])[F:14].[ClH:53]>>[O:26]=[C:27]1[C:28]([CH2:29][CH3:30])([CH2:31][CH3:32])[NH:33][C:34](=[O:47])[N:35]1[c:36]1[cH:37][c:38]([C:43]([F:44])([F:45])[F:46])[c:39]([Cl:42])[cH:40][cH:41]1