HRID121085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID11379

2-Quinolinamine

C9H8N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID2762725

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

C14H16Cl2O2

PRODUCTS

生成物

结构：O=C(Nc1ccc2ccccc2n1)C(CC1CCCC1)c1ccc(Cl)c(Cl)c1

HCID10223455

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-083335a4bce8416eac34038055884c56
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

[CH2:42]([Cl:43])[Cl:44].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[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.[Cl:19][C:20]([C:21]([Cl:22])=[O:23])=[O:24].[NH2:25][c:26]1[n:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[cH:34][cH:35]1.[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH2:50].[cH:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1>>[CH:1]1([CH2:6][CH:7]([C:8](=[O:10])[NH:25][c:26]2[n:27][c:28]3[cH:29][cH:30][cH:31][cH:32][c:33]3[cH:34][cH:35]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