HRID1148071

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：COc1ccccc1CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID69166809

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(C(=O)C(F)(F)F)cc2)cc1CNC1CCC(N(C)C(=O)OC(C)(C)C)CC1

HCID59683508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39cd0954ec5d4ee5ae88196e1e21846a
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:29][c:30]1[cH:31][cH:32][c:33]([C:36]([C:37]([F:38])([F:39])[F:40])=[O:41])[cH:34][cH:35]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[O:26][CH3:27])[CH2:16][CH2:17]1)[CH3:28]>>[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:30]3[cH:31][cH:32][c:33]([C:36]([C:37]([F:38])([F:39])[F:40])=[O:41])[cH:34][cH:35]3)[cH:23][cH:24][c:25]2[O:26][CH3:27])[CH2:16][CH2:17]1)[CH3:28]