HRID155475

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID12109460

4-Methoxy-2-(trifluoromethyl)phenylboronic acid

C8H8BF3O3

结构：CC(C)(C)OC(=O)N1CCCC2C(C1)c1cc(Br)cc3c1N2CCC3

HCID178451730

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cc3c4c(c2)C2CN(C(=O)OC(C)(C)C)CCCC2N4CCC3)c(C(F)(F)F)c1

HCID178488406

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-163e5f30d03f45f1a82c3fa43d33720a
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:1][c:2]1[cH:3][c:4]2[c:9]3[c:10]([cH:11]1)[CH:12]1[CH:13]([N:8]3[CH2:7][CH2:6][CH2:5]2)[CH2:14][CH2:15][CH2:16][N:17]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:18]1.[CH3:26][O:27][c:28]1[cH:29][c:30]([C:37]([F:38])([F:39])[F:40])[c:31]([B:34]([OH:35])[OH:36])[cH:32][cH:33]1>>[c:2]1(-[c:31]2[c:30]([C:37]([F:38])([F:39])[F:40])[cH:29][c:28]([O:27][CH3:26])[cH:33][cH:32]2)[cH:3][c:4]2[c:9]3[c:10]([cH:11]1)[CH:12]1[CH:13]([N:8]3[CH2:7][CH2:6][CH2:5]2)[CH2:14][CH2:15][CH2:16][N:17]([C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])[CH2:18]1