HRID105827

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID521157

Ethylboronic acid

C2H7BO2

结构：CC(C)(C)c1ccc(CN(CCc2ccc(F)c(Br)c2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)cc1

HCID86613996

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(CCN(Cc2ccc(C(C)(C)C)cc2)C(=O)c2cc(C(F)(F)F)cc(Cl)c2F)ccc1F

HCID86613995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-359134c3d15f49b2b0b92781d3403ac6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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