HRID97204

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

HCID1140

Toluene

C7H8

HCID6998

Salicylaldehyde

C7H6O2

HCID23978

Copper

HCID27099

Copper(2+)

Cu+2

结构：CCCCOc1ccc(C(C)(C)C)cc1C(O)(c1cc(C(C)(C)C)ccc1OCCCC)C(C)N=Cc1cc([N+](=O)[O-])ccc1O

HCID136365234

未命名化合物

PRODUCTS

生成物

HCID7200

Salicylaldehyde oxime

C7H7NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1498fadc217142cfa9c8212eab35eaa7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:67]([O-:68])(=[O:69])[CH3:70].[C:72]([O-:73])(=[O:74])[CH3:75].[CH3:59][c:60]1[cH:61][cH:62][cH:63][cH:64][cH:65]1.[CH:1](=[O:2])[c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[OH:9].[Cu+2:71].[Cu:76].[N+:10](=[O:11])([c:12]1[cH:13][c:14]([CH:15]=[N:16][CH:17]([CH3:18])[C:19]([c:20]2[cH:21][c:22]([C:23]([CH3:24])([CH3:25])[CH3:26])[cH:27][cH:28][c:29]2[O:30][CH2:31][CH2:32][CH2:33][CH3:34])([c:35]2[cH:36][c:37]([C:38]([CH3:39])([CH3:40])[CH3:41])[cH:42][cH:43][c:44]2[O:45][CH2:46][CH2:47][CH2:48][CH3:49])[OH:50])[c:51]([OH:52])[cH:53][cH:54]1)[O-:55].[Na+:57].[OH-:56].[OH2:58].[OH2:66]>>[CH:1]([c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[OH:9])=[N:10][OH:11]