HRID1140373

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

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID88012

5-Aminoindazole

C7H7N3

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)Nc2ccc3[nH]ncc3c2)C(c2ccc(Cl)cc2)CC(=O)N1

HCID11349528

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-86ee3215f1d54fb5ac0327d711819ce4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:29]([Cl:30])[CH2:31][Cl:32].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[CH3:40][N:41]([c:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1)[CH3:48].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[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:60].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[nH:19]1[n:20][cH:21][c:22]2[cH:23][c:24]([NH2:28])[cH:25][cH:26][c:27]12>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]2[C:9]([C:16](=[O:18])[NH:28][c:24]3[cH:23][c:22]4[cH:21][n:20][nH:19][c:27]4[cH:26][cH:25]3)=[C:10]([CH3:15])[NH:11][C:12](=[O:14])[CH2:13]2)[cH:6][cH:7]1