HRID168749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID4100862

2-Ethylphenylboronic acid

C8H11BO2

结构：CC(C)N(NC(=O)c1ccccc1)C(=O)COc1c(F)cc(F)cc1Br

HCID58689916

未命名化合物

PRODUCTS

生成物

结构：CCc1ccccc1-c1cc(F)cc(F)c1OCC(=O)N(NC(=O)c1ccccc1)C(C)C

HCID11690987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42cd8efdee2946bbba20d4a47a8df83b
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

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