HRID180716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID980

4-Nitrophenol

C6H5NO3

HCID6212

Chloroform

CHCl3

HCID17208

Benzyltriethylammonium

C13H22N+

结构：CC(=O)OCC1OC(Br)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID102932

未命名化合物

结构：CC(=O)OCC1OC(O)(c2ccc([N+](=O)[O-])cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476093

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(O)(c2ccc(N)cc2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178476092

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8d93d9079a447df86e37e38ce5c57ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br-:74].[C:1]([O:2][CH:3]1[CH:4]([O:5][C:6](=[O:7])[CH3:8])[CH:9]([O:10][C:11](=[O:12])[CH3:13])[CH:14]([CH2:15][O:16][C:17](=[O:18])[CH3:19])[O:20][CH:21]1[Br:22])(=[O:23])[CH3:24].[CH2:75]([N+:76]([CH2:77][CH3:78])([CH2:79][CH3:80])[CH2:81][CH3:82])[c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[CH3:90][CH2:91][OH:92].[CH:70]([Cl:71])([Cl:72])[Cl:73].[N+:25]([c:26]1[cH:27][cH:28][c:29]([OH:30])[cH:31][cH:32]1)([O-:33])=[O:34].[N+:37]([O-:38])(=[O:39])[c:40]1[cH:41][cH:42][c:43]([C:46]2([OH:47])[CH:48]([O:49][C:50]([CH3:51])=[O:52])[CH:53]([O:54][C:55]([CH3:56])=[O:57])[CH:58]([O:59][C:60]([CH3:61])=[O:62])[CH:63]([CH2:65][O:66][C:67]([CH3:68])=[O:69])[O:64]2)[cH:44][cH:45]1.[Na+:36].[OH-:35].[OH2:89]>>[NH2:37][c:40]1[cH:41][cH:42][c:43]([C:46]2([OH:47])[CH:48]([O:49][C:50]([CH3:51])=[O:52])[CH:53]([O:54][C:55]([CH3:56])=[O:57])[CH:58]([O:59][C:60]([CH3:61])=[O:62])[CH:63]([CH2:65][O:66][C:67]([CH3:68])=[O:69])[O:64]2)[cH:44][cH:45]1