HRID1120072

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-2ef6474fff74405dbcde9f059c525756
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH:11]([N:12]3[CH2:13][CH2:14][CH2:15][c:16]4[cH:17][c:18]([Br:22])[cH:19][c:20]2[c:21]43)[CH2:23][CH2:24][CH2:25]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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]2[CH:11]([N:12]3[CH2:13][CH2:14][CH2:15][c:16]4[cH:17][c:18](-[c:31]5[c:30]([C:37]([F:38])([F:39])[F:40])[cH:29][c:28]([O:27][CH3:26])[cH:33][cH:32]5)[cH:19][c:20]2[c:21]43)[CH2:23][CH2:24][CH2:25]1