HRID1221431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24386

Thionyl chloride

Cl2OS

HCID31374

Dimethylacetamide

C4H9NO

HCID5325685

1,4-Dimethyl-1H-pyrazole-3-carboxylic acid

C6H8N2O2

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)c1nn(C)cc1C

HCID57505571

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7fac57f83a78417d9da7034a83edc634
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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