HRID152019

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID7914

Isopropyl ether

C6H14O

HCID8058

n-Hexane

C6H14

HCID8467

3-Ethoxy-4-hydroxybenzaldehyde

C9H10O3

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：NC(=O)N1CCC([P+](c2ccccc2)(c2ccccc2)c2ccccc2)C1=O

HCID19022137

未命名化合物

PRODUCTS

生成物

HCID54343773

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2886a9067cac41ae87f723652c29d6c7
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

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