HRID149229

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID58266526

未命名化合物

结构：CC(=O)OC1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

HCID66730348

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(F)(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

HCID58486283

4-Fluoro-1-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine

C18H27BFNO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99f3d274fc01440399eda9d52ae17cf8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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