HRID806436

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

HCID720529

3-(tert-butyl)-1-methyl-1h-pyrazole-5-carboxylic acid

C9H14N2O2

结构：Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1N

HCID57505476

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)cn3n2)cc1NC(=O)c1cc(C(C)(C)C)nn1C

HCID57505586

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5a18535fe31424f88062a61dc3552d7
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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