HRID115638

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

HCID45082184

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

C6H8N2O3

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

HCID57749401

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)Nc2cc(Oc3ccc4nc(NC(=O)C5CC5)nn4c3)ccc2C)n(C)n1

HCID57749268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-010dc1a9c3934ba59bfa01254c548378
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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