HRID186767

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID2777204

2-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

结构：O=C(c1ccccc1)N1CCc2[nH]c3cccc(Br)c3c2CC1

HCID22396619

未命名化合物

PRODUCTS

生成物

结构：O=C(c1ccccc1)N1CCc2[nH]c3cccc(-c4ccccc4OC(F)(F)F)c3c2CC1

HCID22396567

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-264fde59d41b41eb93068d5d4c50caaa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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