HRID167198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID2305635

2-chloro-N-(2,4,6-trimethylphenyl)acetamide

C11H14ClNO

结构：CNC(=O)C1CN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1

HCID22452535

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)C1CN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CCN1CC(=O)Nc1c(C)cc(C)cc1C

HCID14230132

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9357c9e966df422384e08d424a54b261
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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