HRID198861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID12421986

3-Hydroxy-6-methylpyridine-2-carbaldehyde

C7H7NO2

HCID21973276

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(OCC(=O)N2CC(C)N(Cc3ccc(F)cc3)CC2C)c(C=O)n1

HCID21973476

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e5b3f17b748456da7f6c9a85a5fd82f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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