HRID1228828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8028

Tetrahydrofuran

C4H8O

HCID78205

Carbonochloridic acid, (4-nitrophenyl)methyl ester

C8H6ClNO4

结构：C=CCC1C(C(C)(C)O)C(=O)N1C(C(=O)OC)=C(C)C

HCID20220056

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：C=CCC1C(C(C)(C)OC(=O)OCc2ccc([N+](=O)[O-])cc2)C(=O)N1C(C(=O)OC)=C(C)C

HCID20220059

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39ebc4a0ed0b44ad84e217aaad85c596
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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