HRID290400

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2783251

2-Chloro-4-(trifluoromethyl)phenylboronic acid

C7H5BClF3O2

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)(C)OC(=O)N1CCC2C(C1)c1cc(-c3ccc(C(F)(F)F)cc3Cl)cc3c1N2CC3

HCID9891271

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-05e7f307df6349a5b8359be08ae0ba57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

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[c:13]4[c:14]([cH:15][c:16]([Br:19])[cH:17][c:18]42)[CH2:20][CH2:21]3)[CH2:22][CH2:23]1.[Cl:24][c:25]1[c:26]([B:35]([OH:36])[OH:37])[cH:27][cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]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[c:13]4[c:14]([cH:15][c:16](-[c:26]5[c:25]([Cl:24])[cH:30][c:29]([C:31]([F:32])([F:33])[F:34])[cH:28][cH:27]5)[cH:17][c:18]42)[CH2:20][CH2:21]3)[CH2:22][CH2:23]1