HRID144591

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID6569

Methyl ethyl ketone

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID77684

Benzoic acid, 5-chloro-2-hydroxy-, methyl ester

C8H7ClO3

HCID21973276

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(Cl)ccc1OCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C

HCID22263833

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ed2799b9fd34a87ba2e3a7eb99c3c88
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:33](=[O:34])([O-:35])[O-:36].[CH3:41][C:42](=[O:43])[CH2:44][CH3:45].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:1][CH2:2][C:3](=[O:4])[N:5]1[CH:6]([CH3:20])[CH2:7][N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[CH:9]([CH3:11])[CH2:10]1.[Cl:21][c:22]1[cH:23][cH:24][c:25]([OH:32])[c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31]1.[I-:40].[K+:37].[K+:38].[K+:39]>>[CH2:2]([C:3](=[O:4])[N:5]1[CH:6]([CH3:20])[CH2:7][N:8]([CH2:12][c:13]2[cH:14][cH:15][c:16]([F:19])[cH:17][cH:18]2)[CH:9]([CH3:11])[CH2:10]1)[O:32][c:25]1[cH:24][cH:23][c:22]([Cl:21])[cH:31][c:26]1[C:27](=[O:28])[O:29][CH3:30]