HRID1136085

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22021842

{4-[(Propan-2-yl)oxy]-2-(trifluoromethyl)phenyl}boronic acid

C10H12BF3O3

结构：CC(C)(C)OC(=O)N1CCC2C(C1)c1cc(Br)cc3c1N2CC3

HCID178451541

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1ccc(-c2cc3c4c(c2)C2CN(C(=O)OC(C)(C)C)CCC2N4CC3)c(C(F)(F)F)c1

HCID178458225

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e9b1a1a75654f9f8de8976cfd8cf631
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

[Br:1][c:2]1[cH:3][c:4]2[c:8]3[c:9]([cH:10]1)[CH2:11][CH2:12][N:7]3[CH:6]1[CH:5]2[CH2:16][N:15]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:14][CH2:13]1.[CH:24]([CH3:25])([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][CH:24]([CH3:25])[CH3:26])[cH:33][cH:32]2)[cH:3][c:4]2[c:8]3[c:9]([cH:10]1)[CH2:11][CH2:12][N:7]3[CH:6]1[CH:5]2[CH2:16][N:15]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:14][CH2:13]1