HRID1205887

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

结构：CC(O)(CNC(=O)c1cc(Br)c(OCC(F)(F)F)nc1C(F)(F)F)C1CC1

HCID86634798

未命名化合物

PRODUCTS

生成物

结构：CC(O)(CNC(=O)c1cc(-c2ccc(Cl)cc2)c(OCC(F)(F)F)nc1C(F)(F)F)C1CC1

HCID44240675

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e09c104cedc479ea9c7f36647441595
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

[Br:1][c:2]1[c:3]([O:22][CH2:23][C:24]([F:25])([F:26])[F:27])[n:4][c:5]([C:18]([F:19])([F:20])[F:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][C:11]([CH3:12])([OH:13])[CH:14]2[CH2:15][CH2:16]2)[cH:17]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[Cl:28][c:29]1[cH:30][cH:31][c:32]([B:35]([OH:36])[OH:37])[cH:33][cH:34]1.[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH2:44]>>[c:2]1(-[c:32]2[cH:31][cH:30][c:29]([Cl:28])[cH:34][cH:33]2)[c:3]([O:22][CH2:23][C:24]([F:25])([F:26])[F:27])[n:4][c:5]([C:18]([F:19])([F:20])[F:21])[c:6]([C:7](=[O:8])[NH:9][CH2:10][C:11]([CH3:12])([OH:13])[CH:14]2[CH2:15][CH2:16]2)[cH:17]1