HRID1546477

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

HCID2777204

2-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

结构：COCCOc1ccc(C(=O)NN(C(=O)COc2ccc(F)cc2Br)C(C)C)cc1

HCID58689919

未命名化合物

PRODUCTS

生成物

结构：COCCOc1ccc(C(=O)NN(C(=O)COc2ccc(F)cc2-c2ccccc2OC(F)(F)F)C(C)C)cc1

HCID11721057

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d670aa2376e467ca062f45746aafde9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

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][c:14]([O:17][CH2:18][CH2:19][O:20][CH3:21])[cH:15][cH:16]2)=[O:22])[CH:23]([CH3:24])[CH3:25])[cH:26][cH:27][c:28]([F:30])[cH:29]1.[C:31](=[O:32])([O-:33])[O-:34].[CH3:51][O:52][CH2:53][CH2:54][O:55][CH3:56].[F:37][C:38]([O:39][c:40]1[c:41]([B:46]([OH:47])[OH:48])[cH:42][cH:43][cH:44][cH:45]1)([F:49])[F:50].[Na+:35].[Na+:36]>>[c:2]1(-[c:41]2[c:40]([O:39][C:38]([F:37])([F:49])[F:50])[cH:45][cH:44][cH:43][cH:42]2)[c:3]([O:4][CH2:5][C:6](=[O:7])[N:8]([NH:9][C:10]([c:11]2[cH:12][cH:13][c:14]([O:17][CH2:18][CH2:19][O:20][CH3:21])[cH:15][cH:16]2)=[O:22])[CH:23]([CH3:24])[CH3:25])[cH:26][cH:27][c:28]([F:30])[cH:29]1