HRID92330

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

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

HCID55277996

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)Nc2cc(Cl)c3[nH]ncc3c2)C(c2ccc(C(F)(F)F)cc2)CC(=O)N1

HCID11751266

N-(7-Chloro-1H-indazol-5-yl)-1,4,5,6-tetrahydro-2-methyl-6-oxo-4-[4-(trifluoromethyl)phenyl]-3-pyridinecarboxamide

C21H16ClF3N4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66b568ed5b7946f59a0ebd29afd529d9
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

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