HRID185920

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6569

Methyl ethyl ketone

C4H8O

HCID19660

Carbonate

CO3-2

HCID68007

Benzene, 1-(bromomethyl)-3-fluoro-

C7H6BrF

结构：CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OC)cc2O)c1

HCID11582687

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OC)cc2OCc2cccc(F)c2)c1

HCID67272312

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7faad941b35749c697a10ede1392628a
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:41](=[O:42])([O-:43])[O-:44].[CH2:10]([CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])[NH:17][C:18]([N:19]([CH3:20])[c:21]1[cH:22][c:23](-[c:27]2[c:28]([OH:39])[cH:29][c:30]([CH2:33][CH2:34][C:35](=[O:36])[O:37][CH3:38])[cH:31][cH:32]2)[cH:24][cH:25][cH:26]1)=[O:40].[CH2:47]([C:48]([CH3:49])=[O:50])[CH3:51].[F:1][c:2]1[cH:3][c:4]([CH2:5][Br:6])[cH:7][cH:8][cH:9]1.[K+:45].[K+:46]>>[F:1][c:2]1[cH:3][c:4]([CH2:5][O:39][c:28]2[c:27](-[c:23]3[cH:22][c:21]([N:19]([C:18]([NH:17][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH3:16])=[O:40])[CH3:20])[cH:26][cH:25][cH:24]3)[cH:32][cH:31][c:30]([CH2:33][CH2:34][C:35](=[O:36])[O:37][CH3:38])[cH:29]2)[cH:7][cH:8][cH:9]1