HRID1218388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID45090504

6-Fluoro-1H-indazol-5-amine

C7H6FN3

HCID53435790

4-(4-Chlorophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylic acid

C13H12ClNO3

PRODUCTS

生成物

结构：CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(Cl)cc2)CC(=O)N1

HCID11395442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1eaef6aca2214b2b912e0e3b51f1d391
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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