HRID664194

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID3283

Diethyl Ether

C4H10O

HCID4691

未命名化合物

HCID17020

Propanenitrile, 3-bromo-

C3H4BrN

HCID19660

Carbonate

CO3-2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：N#CCCN1CCC(c2ccc(F)cc2)C(COc2ccc3c(c2)OCO3)C1

HCID178511101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63096ae1af5642369596b0f017f84add
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:29][CH2:30][CH2:31][C:32]#[N:33].[C:34](=[O:35])([O-:36])[O-:37].[CH2:40]([O:41][CH2:42][CH3:43])[CH3:44].[CH3:26][CH2:27][OH:28].[CH3:45][C:46](=[O:47])[CH3:48].[ClH:1].[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH:10]([CH2:15][O:16][c:17]3[cH:18][c:19]4[c:20]([cH:21][cH:22]3)[O:23][CH2:24][O:25]4)[CH2:11][NH:12][CH2:13][CH2:14]2)[cH:7][cH:8]1.[K+:38].[K+:39]>>[ClH:1].[F:2][c:3]1[cH:4][cH:5][c:6]([CH:9]2[CH:10]([CH2:15][O:16][c:17]3[cH:18][c:19]4[c:20]([cH:21][cH:22]3)[O:23][CH2:24][O:25]4)[CH2:11][N:12]([CH2:30][CH2:31][C:32]#[N:33])[CH2:13][CH2:14]2)[cH:7][cH:8]1