HRID949462

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

HCID606540

1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxylic acid

C6H5F3N2O2

结构：Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1

HCID57386059

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(C(F)(F)F)cc1C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)c1

HCID57505501

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba0b1c09e16f472c80fe880b97429b1d
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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