HRID2146208

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-

HCID4550832

未命名化合物

结构：NC(=O)C1CNCCN1CCCC(c1ccc(F)cc1)c1ccc(F)cc1

HCID13883288

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C)c1NC(=O)CCN1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)C(C(N)=O)C1

HCID14230181

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9a7c248eaf84c82b21265b67a86af07
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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