HRID1555868

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

HCID88012

5-Aminoindazole

C7H7N3

结构：CC1=C(C(=O)O)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1

HCID16099863

2-Methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-1,4,5,6-tetrahydropyridine-3-carboxylic acid

C14H12F3NO3

PRODUCTS

生成物

结构：CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1

HCID11189172

1,4,5,6-Tetrahydro-N-1H-indazol-5-yl-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-3-pyridinecarboxamide

C21H17F3N4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49f5c394038544bb98da682eb60734a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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