HRID144506

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7969

Benzenethiol

C6H6S

HCID19660

Carbonate

CO3-2

结构：CN(C)CCCC(=O)Nc1ccc(-c2nnc(CN(CCOc3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])o2)cc1

HCID21108636

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCCC(=O)Nc1ccc(-c2nnc(CNCCOc3ccccc3)o2)cc1

HCID21108547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ecf8e6462fff4425bf69c873743e17f7
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

[C:44](=[O:45])([O-:46])[O-:47].[CH3:57][N:58]([CH3:59])[CH:60]=[O:61].[K+:48].[K+:49].[N+:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][c:7]1[S:8](=[O:9])(=[O:10])[N:13]([CH2:14][CH2:15][O:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[CH2:23][c:24]1[o:25][c:26](-[c:29]2[cH:30][cH:31][c:32]([NH:35][C:36]([CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42])=[O:43])[cH:33][cH:34]2)[n:27][n:28]1)([O-:11])=[O:12].[OH2:62].[SH:50][c:51]1[cH:52][cH:53][cH:54][cH:55][cH:56]1>>[NH:13]([CH2:14][CH2:15][O:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[CH2:23][c:24]1[o:25][c:26](-[c:29]2[cH:30][cH:31][c:32]([NH:35][C:36]([CH2:37][CH2:38][CH2:39][N:40]([CH3:41])[CH3:42])=[O:43])[cH:33][cH:34]2)[n:27][n:28]1