HRID679227

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

HCID8057

1-Bromopentane

C5H11Br

HCID19660

Carbonate

CO3-2

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCCCCN1CCC(c2ccc(F)cc2)C(COc2ccc3c(c2)OCO3)C1

HCID178446092

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a899f1072bd143c89eabfc57d082995a
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:26][CH2:27][CH2:28][CH2:29][CH2:30][CH3:31].[C:32](=[O:33])([O-:34])[O-:35].[CH2:45]([O:46][CH2:47][CH3:48])[CH3:49].[CH3:38][C:39](=[O:40])[CH3:41].[CH3:42][CH2:43][OH:44].[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+:36].[K+:37]>>[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]([CH2:27][CH2:28][CH2:29][CH2:30][CH3:31])[CH2:13][CH2:14]2)[cH:7][cH:8]1