HRID667654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID2734386

4-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

结构：CCCCCCC(Oc1ccc(Br)cc1)c1ccc(C(=O)NCCC(=O)OC)cc1

HCID67153387

未命名化合物

PRODUCTS

生成物

结构：CCCCCCC(Oc1ccc(-c2ccc(OC(F)(F)F)cc2)cc1)c1ccc(C(=O)NCCC(=O)OC)cc1

HCID67153444

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61988e7a9384431fa11ebaeec7080286
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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