HRID1140448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID3776

Isopropanol

C3H8O

HCID7504

Benzylamine

C7H9N

HCID70019

Benzaldehyde, 2,4,6-trimethoxy-

C10H12O4

结构：COc1ccc(CS(=O)(=O)CC(=O)O)cc1[N+](=O)[O-]

HCID40427067

[(4-Methoxy-3-nitrophenyl)methanesulfonyl]acetic acid

C10H11NO7S

PRODUCTS

生成物

结构：COc1cc(OC)c(C=CS(=O)(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1

HCID72986526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1637ef1dd52d415fbfb879476768e358
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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