HRID165793

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID8080

3,4-Dihydro-2H-pyran

C5H8O

HCID8857

Ethyl acetate

C4H8O2

HCID700608

4-Methoxy-3-nitrobenzaldehyde

C8H7NO4

HCID3280088

未命名化合物

结构：COc1ccc(C=C(OC2CCCCO2)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]

HCID66929589

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(=O)c2cc(OC)c(OC)c(OC)c2)cc1[N+](=O)[O-]

HCID53414250

2-(4-Methoxy-3-nitrophenyl)-1-(3,4,5-trimethoxyphenyl)ethan-1-one

C18H19NO7

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f779d6d51004a93ab871d39c619d1bf
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

[CH2:1]1[CH2:2][CH:3]=[CH:4][O:5][CH2:6]1.[CH2:62]1[O:63][CH2:64][CH2:65][CH2:66]1.[CH3:17][O:18][c:19]1[cH:20][cH:21][c:22]([CH:23]=[O:24])[cH:25][c:26]1[N+:27]([O-:28])=[O:29].[CH3:30][O:31][c:32]1[c:33]([N+:59](=[O:60])[O-:61])[cH:34][c:35]([CH:38]=[C:39]([O:40][CH:41]2[CH2:42][CH2:43][CH2:44][CH2:45][O:46]2)[c:47]2[cH:48][c:49]([O:57][CH3:58])[c:50]([O:55][CH3:56])[c:51]([O:53][CH3:54])[cH:52]2)[cH:36][cH:37]1.[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[CH3:7][Si:8]([N-:9][Si:10]([CH3:11])([CH3:12])[CH3:13])([CH3:14])[CH3:15].[Na+:16]>>[CH3:30][O:31][c:32]1[c:33]([N+:59](=[O:60])[O-:61])[cH:34][c:35]([CH2:38][C:39](=[O:40])[c:47]2[cH:48][c:49]([O:57][CH3:58])[c:50]([O:55][CH3:56])[c:51]([O:53][CH3:54])[cH:52]2)[cH:36][cH:37]1