HRID1204184

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

结构：Cn1c(=O)c2[nH]c(Cc3ccc(N)cc3)nc2n(C)c1=O

HCID225228

8-(4-aminobenzyl)-1,3-dimethyl-3,7-dihydro-1h-purine-2,6-dione

C14H15N5O2

HCID2777126

5-chloro-1,3-dimethyl-1H-pyrazole-4-sulfonyl chloride

C5H6Cl2N2O2S

PRODUCTS

生成物

结构：Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(Cc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1

HCID10344984

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-77cf1825488e4a88924893cb4d30d13c
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

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