HRID169038

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID79396

4-tert-Butylcyclohexylamine

C10H21N

HCID2724942

未命名化合物

HCID59316399

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C1CCC(NCc2ccc(-c3cccc(C(N)=O)c3)c(F)c2)CC1

HCID59544855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cac41fd1ca7b45b28cf3dd2514d91bc4
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

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