HRID317670

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

HCID59627317

未命名化合物

结构：COC(=O)c1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

HCID59627340

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(CN(Cc2cn(C[Si](C)(C)C)nn2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1

HCID59627272

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76526a3fe3d5454e975bb85e87fdf7f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:1][Si:2]([CH3:3])([CH3:4])[CH2:5][n:6]1[n:7][n:8][c:9]([CH2:11][OH:12])[cH:10]1.[CH3:65][CH2:66][O:67][C:68]([CH3:69])=[O:70].[N+:13](=[O:14])([O-:15])[c:16]1[c:17]([S:25](=[O:26])(=[O:27])[NH:28][CH2:29][c:30]2[cH:31][cH:32][c:33]([C:34](=[O:35])[O:36][CH3:37])[cH:38][cH:39]2)[cH:18][cH:19][c:20]([N+:22](=[O:23])[O-:24])[cH:21]1.[c:40]1([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)[cH:54][cH:55][cH:56][cH:57][cH:58]1.[cH:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1>>[CH3:1][Si:2]([CH3:3])([CH3:4])[CH2:5][n:6]1[n:7][n:8][c:9]([CH2:11][N:28]([S:25]([c:17]2[c:16]([N+:13](=[O:14])[O-:15])[cH:21][c:20]([N+:22](=[O:23])[O-:24])[cH:19][cH:18]2)(=[O:26])=[O:27])[CH2:29][c:30]2[cH:31][cH:32][c:33]([C:34](=[O:35])[O:36][CH3:37])[cH:38][cH:39]2)[cH:10]1