HRID114542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID10439

2-Aminopyridine

C5H6N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2762725

3-cyclopentyl-2-(3,4-dichlorophenyl)propanoic Acid

C14H16Cl2O2

PRODUCTS

生成物

结构：O=C(Nc1ccccn1)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1

HCID2762726

3-Cyclopentyl-2-(3,4-dichlorophenyl)-N-(pyridin-2-yl)propanamide

C19H20Cl2N2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf39fbe7207a408f8fddef9261703b35
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:41]([Cl:42])[Cl:43].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH:1]1([CH2:6][CH:7]([C:8](=[O:9])[OH:10])[c:11]2[cH:12][c:13]([Cl:18])[c:14]([Cl:17])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:19][C:20]([C:21]([Cl:22])=[O:23])=[O:24].[NH2:25][c:26]1[n:27][cH:28][cH:29][cH:30][cH:31]1.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:49]>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:25][c:26]2[n:27][cH:28][cH:29][cH:30][cH:31]2)[c:11]2[cH:12][c:13]([Cl:18])[c:14]([Cl:17])[cH:15][cH:16]2)[CH2:2][CH2:3][CH2:4][CH2:5]1