HRID2136828

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID591073

4-Formylphenylboronic acid

C7H7BO3

结构：CC1(C)OC(=C2C(=O)Nc3cc(F)ccc32)C=C1Br

HCID69410457

未命名化合物

PRODUCTS

生成物

结构：CC1(C)OC(=C2C(=O)Nc3cc(F)ccc32)C=C1c1ccc(C=O)cc1

HCID72464764

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e2b33ac181b147a0a745c384b5e2bcb1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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