HRID158280

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1

HCID447961

Cdk2/9 Inhibitor

C14H12N6O2S

PRODUCTS

生成物

结构：Cc1nc(NS(C)(=O)=O)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1

HCID10111991

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-07a0d428d08440c1ab045645e8b4d85d
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

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