HRID295141

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

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)cn3n2)c1

HCID57386059

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)C5CC5)cn4n3)c2)n(CC(F)(F)F)n1

HCID57505504

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-810432b948bc462a96cffa0c6341b645
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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.[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[NH2:21][c:22]1[cH:23][c:24]([O:25][c:26]2[cH:27][cH:28][c:29]3[n:30]([n:31]2)[cH:32][c:33]([NH:35][C:36](=[O:37])[CH:38]2[CH2:39][CH2:40]2)[n:34]3)[cH:41][cH:42][cH:43]1.[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]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:21][c:22]2[cH:23][c:24]([O:25][c:26]3[cH:27][cH:28][c:29]4[n:30]([n:31]3)[cH:32][c:33]([NH:35][C:36](=[O:37])[CH:38]3[CH2:39][CH2:40]3)[n:34]4)[cH:41][cH:42][cH:43]2)[cH:6]1