HRID98955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate Ion

CO3-2

HCID30165

Iodide ion

I-

HCID88638

Benzimidazolone

C12H15N3O

HCID583170

未命名化合物

PRODUCTS

产物

HCID20385599

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-80f229a7dd9e49beb2825de64bbbfddc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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