HRID1574062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8002

1-Bromobutane

C4H9Br

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID19660

Carbonate

CO3-2

HCID21885

2-Dimethylaminopyridine

C7H10N2

HCID2734675

2-Fluoro-4-hydroxybenzonitrile

C7H4FNO

HCID2773434

4-butoxy-2-fluorobenzoic acid

C11H13FO3

HCID14495630

2,3-Difluoro-4-octylphenol

C14H20F2O

PRODUCTS

产物

HCID19103571

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4c7772f7de3b4c00822083e0dcb3011a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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