HRID1552652

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6269

4-Toluenesulfonamide

C7H9NO2S

HCID166653

Hydride

H-

结构：Cc1cc(C)c([N+](=O)[O-])c(Nc2ccc(CCNC(=O)Oc3ccccc3)cc2)n1

HCID21875604

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)NC(=O)NCCc2ccc(Nc3nc(C)cc(C)c3[N+](=O)[O-])cc2)cc1

HCID21876424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56f094187bde4bd9a714a3cf7e2735b7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:1][c:2]1[c:3]([N+:28](=[O:29])[O-:30])[c:4]([NH:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][CH2:17][NH:18][C:19]([O:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)=[O:27])[cH:14][cH:15]2)[n:5][c:6]([CH3:8])[cH:7]1.[H-:42].[Na+:43].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49].[OH2:44].[c:31]1([CH3:41])[cH:32][cH:33][c:34]([S:37](=[O:38])(=[O:39])[NH2:40])[cH:35][cH:36]1>>[CH3:1][c:2]1[c:3]([N+:28](=[O:29])[O-:30])[c:4]([NH:9][c:10]2[cH:11][cH:12][c:13]([CH2:16][CH2:17][NH:18][C:19](=[O:27])[NH:40][S:37]([c:34]3[cH:33][cH:32][c:31]([CH3:41])[cH:36][cH:35]3)(=[O:38])=[O:39])[cH:14][cH:15]2)[n:5][c:6]([CH3:8])[cH:7]1