HRID137350

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID24386

Thionyl chloride

Cl2OS

HCID31374

Dimethylacetamide

C4H9NO

HCID643158

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

C5H6N2O2

结构：Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)cc1N

HCID57749401

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)cc1NC(=O)c1ccnn1C

HCID57749289

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5727b78f99704a14b18ce63b1393edd7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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