HRID310596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate Ion

CO3-2

HCID30165

Iodide ion

I-

HCID93915

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

C13H16FN3O

HCID1810419

1-(3-Chloropropyl)-1,3-dihydro-2H-benzimidazol-2-one

C10H11ClN2O

PRODUCTS

产物

HCID20385592

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-e7ebae4d760b403b8e00c86ba0b4a35b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

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