HRID1126036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61668

Boronic acid

H3BO2

HCID603866

4'-Bromo-2,2,2-trifluoroacetophenone

C8H4BrF3O

结构：CN(C(=O)OC(C)(C)C)C1CCC(NCc2ccccc2F)CC1

HCID69164330

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)C1CCC(NCc2cc(-c3ccc(C(=O)C(F)(F)F)cc3)ccc2F)CC1

HCID59766911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-aaf45e995c6e499a96d922ec5b11f76c
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

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