HRID122544

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

CO3-2

HCID30165

Iodide ion

I-

HCID735852

2-chloro-N-(5-fluoro-2-methylphenyl)acetamide

C9H9ClFNO

结构：NC(=O)C1CN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1

HCID14722549

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：Cc1ccc(F)cc1NC(=O)CN1CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1C(N)=O

HCID14722584

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-900c82f91f4845a0906139e655725403
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

[CH3:50][CH:51]([CH3:52])[CH2:53][C:54](=[O:55])[CH3:56].[Cl:29][CH2:30][C:31](=[O:32])[NH:33][c:34]1[c:35]([CH3:41])[cH:36][cH:37][c:38]([F:40])[cH:39]1.[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][CH2:12][N:13]2[CH2:14][CH:15]([C:19](=[O:20])[NH2:21])[NH:16][CH2:17][CH2:18]2)[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[cH:6][cH:7]1.[I-:49].[K+:48].[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47]>>[ClH:29].[F:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([CH2:9][CH2:10][CH2:11][CH2:12][N:13]2[CH2:14][CH:15]([C:19](=[O:20])[NH2:21])[N:16]([CH2:30][C:31](=[O:32])[NH:33][c:34]3[c:35]([CH3:41])[cH:36][cH:37][c:38]([F:40])[cH:39]3)[CH2:17][CH2:18]2)[c:22]2[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]2)[cH:6][cH:7]1