HRID210806

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID22048919

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

C13H11F2NO3

HCID45090504

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

C7H6FN3

PRODUCTS

生成物

结构：CC1=C(C(=O)Nc2cc3cn[nH]c3cc2F)C(c2ccc(F)cc2F)CC(=O)N1

HCID11177047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3e99ba966804ceeb13fa3e9f68b32e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:51][CH2:52][O:53][C:54]([CH3:55])=[O:56].[Cl:25][C:26]([C:27]([Cl:28])=[O:29])=[O:30].[Cl:42][CH2:43][Cl:44].[F:1][c:2]1[c:3]([CH:9]2[C:10]([C:17](=[O:18])[OH:19])=[C:11]([CH3:16])[NH:12][C:13](=[O:15])[CH2:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[F:31][c:32]1[c:33]([NH2:41])[cH:34][c:35]2[cH:36][n:37][nH:38][c:39]2[cH:40]1.[O:20]=[CH:21][N:22]([CH3:23])[CH3:24].[cH:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1>>[F:1][c:2]1[c:3]([CH:9]2[C:10]([C:17](=[O:19])[NH:41][c:33]3[c:32]([F:31])[cH:40][c:39]4[c:35]([cH:34]3)[cH:36][n:37][nH:38]4)=[C:11]([CH3:16])[NH:12][C:13](=[O:15])[CH2:14]2)[cH:4][cH:5][c:6]([F:8])[cH:7]1