HRID125200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID66279

1-Propanesulfonyl chloride

C3H7ClO2S

结构：CS(=O)(=O)c1ccc(Nc2ncnc(OC3CCNCC3)c2[N+](=O)[O-])cc1

HCID11257886

未命名化合物

PRODUCTS

生成物

结构：CCCS(=O)(=O)N1CCC(Oc2ncnc(Nc3ccc(S(C)(=O)=O)cc3)c2[N+](=O)[O-])CC1

HCID11443404

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00104d6e5b904a5cbcbc26a09f98c3ee
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

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