HRID147552

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID313

Hydrochloric Acid

ClH

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID17390106

Benzeneethanol, 4-fluoro-, 1-(4-methylbenzenesulfonate)

C15H15FO3S

HCID21104689

Benzyl [(piperidin-3-yl)methyl]carbamate

C14H20N2O2

PRODUCTS

生成物

结构：O=C(NCC1CCCN(CCc2ccc(F)cc2)C1)OCc1ccccc1

HCID69738345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b31c5e5ec6814f6ea7ea7ea625d662aa
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

[C:40](=[O:41])([O-:42])[O-:43].[C:46](=[O:47])([O-:48])[OH:49].[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10](=[O:11])[NH:12][CH2:13][CH:14]1[CH2:15][NH:16][CH2:17][CH2:18][CH2:19]1.[CH3:51][C:52](=[O:53])[CH3:54].[ClH:1].[F:20][c:21]1[cH:22][cH:23][c:24]([CH2:27][CH2:28][O:29][S:30]([c:31]2[cH:32][cH:33][c:34]([CH3:35])[cH:36][cH:37]2)(=[O:38])=[O:39])[cH:25][cH:26]1.[K+:44].[K+:45].[Na+:50].[OH2:55]>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][C:10](=[O:11])[NH:12][CH2:13][CH:14]1[CH2:15][N:16]([CH2:28][CH2:27][c:24]2[cH:23][cH:22][c:21]([F:20])[cH:26][cH:25]2)[CH2:17][CH2:18][CH2:19]1