HRID89909

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID31374

Dimethylacetamide

C4H9NO

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID13338434

3-Methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxylic acid

C7H7F3N2O2

结构：Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)c1

HCID57749117

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)c2)n(CC(F)(F)F)n1

HCID57749132

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a958149ede0449ea6b8b6b01fccd06f
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

[CH3:1][c:2]1[n:3][n:4]([CH2:10][C:11]([F:12])([F:13])[F:14])[c:5]([C:7](=[O:8])[OH:9])[cH:6]1.[CH3:49][N:50]([CH3:51])[C:52](=[O:53])[CH3:54].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[Cl:20][C:21]([C:22]([Cl:23])=[O:24])=[O:25].[NH2:26][c:27]1[cH:28][c:29]([O:30][c:31]2[cH:32][cH:33][c:34]3[n:35]([cH:36]2)[n:37][c:38]([NH:40][C:41](=[O:42])[CH:43]2[CH2:44][CH2:45]2)[n:39]3)[cH:46][cH:47][cH:48]1.[O:15]1[CH2:16][CH2:17][CH2:18][CH2:19]1>>[CH3:1][c:2]1[n:3][n:4]([CH2:10][C:11]([F:12])([F:13])[F:14])[c:5]([C:7](=[O:9])[NH:26][c:27]2[cH:28][c:29]([O:30][c:31]3[cH:32][cH:33][c:34]4[n:35]([cH:36]3)[n:37][c:38]([NH:40][C:41](=[O:42])[CH:43]3[CH2:44][CH2:45]3)[n:39]4)[cH:46][cH:47][cH:48]2)[cH:6]1