HRID1221856

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID2733958

2-Methoxyphenylboronic acid

C7H9BO3

结构：COC(=O)C(Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)OC(C)(C)C

HCID14560583

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Cc1ccc(-c2ccccc2OC)cc1)NC(=O)OC(C)(C)C

HCID21988886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a0b5fe73dc2404d830caeac21191cf9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:40](=[O:41])([O-:42])[O-:43].[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([O:12][S:13]([C:14]([F:15])([F:16])[F:17])(=[O:18])=[O:19])[cH:10][cH:11]1)[NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28].[CH3:29][O:30][c:31]1[c:32]([B:37]([OH:38])[OH:39])[cH:33][cH:34][cH:35][cH:36]1.[CH3:46][O:47][CH2:48][CH2:49][O:50][CH3:51].[K+:44].[K+:45].[OH2:52]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9](-[c:32]2[c:31]([O:30][CH3:29])[cH:36][cH:35][cH:34][cH:33]2)[cH:10][cH:11]1)[NH:20][C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28]