HRID200307

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

HCID643158

1-methyl-1H-pyrazole-5-carboxylic acid

C5H6N2O2

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

HCID57749117

未命名化合物

PRODUCTS

生成物

结构：Cn1nccc1C(=O)Nc1cccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)c1

HCID57749314

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d560b9b519f4d3d850613d4043d8cb4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1[C:7](=[O:8])[OH:9].[CH3:44][N:45]([CH3:46])[C:47](=[O:48])[CH3:49].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[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]([cH:31]2)[n: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:10]1[CH2:11][CH2:12][CH2:13][CH2:14]1>>[CH3:1][n:2]1[n:3][cH:4][cH:5][c:6]1[C:7](=[O:9])[NH:21][c:22]1[cH:23][c:24]([O:25][c:26]2[cH:27][cH:28][c:29]3[n:30]([cH:31]2)[n: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