HRID320005

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID2734709

3-Fluoro-4-(trifluoromethyl)benzoyl chloride

C8H3ClF4O

结构：NCc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

HCID21988526

未命名化合物

PRODUCTS

生成物

结构：O=C1CCC(N2C(=O)c3cccc(CNC(=O)c4ccc(C(F)(F)F)c(F)c4)c3C2=O)C(=O)N1

HCID58307346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7711bbc741064287934f3419cc20f0b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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