HRID2310617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID93915

1-(4-Fluorophenyl)-1,3,8-triazaspiro(4,5)decan-4-one

C13H16FN3O

HCID15563487

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1cccc2cccc(CN3CCC4(CC3)C(=O)NCN4c3ccc(F)cc3)c12

HCID22022199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-4414f71c8551479ab7e8b056ebf47956
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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