HRID1123813

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：CC(C)N(NC(=O)C1CCSCC1)C(=O)COc1ccc(F)cc1Br

HCID58689901

未命名化合物

PRODUCTS

生成物

结构：CC(C)N(NC(=O)C1CCSCC1)C(=O)COc1ccc(F)cc1-c1ccccc1OC(F)(F)F

HCID11584360

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1afc148e8ca34ce98dd489aa74d201c6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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