HRID671688

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID13493241

5-Methoxy-4,4-dimethyl-5-oxopentanoic acid

C8H14O4

HCID15338355

未命名化合物

PRODUCTS

生成物

结构：CCCN(Cc1ccc(-c2ccccc2C#N)cc1)C(=O)CCC(C)(C)C(=O)OC

HCID53838664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-349e989992e0477089510278be762e2e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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