HRID161883

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID637524

3-hydroxy-N,N-dimethylbenzamide

C9H11NO2

结构：CCOC(=O)CNc1nc(S(C)(=O)=O)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1[N+](=O)[O-]

HCID22102567

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CNc1nc(Oc2cccc(C(=O)N(C)C)c2)nc(Oc2cc(C#N)ccc2OCc2ccccc2)c1[N+](=O)[O-]

HCID22102981

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-368e1529f1774a5ab7a60109b3ae0b75
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

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