HRID92744

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID46738021

1-(Propan-2-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C12H21BN2O2

结构：Cc1c(Cc2ccc(Br)cc2)c(OC(F)F)nc2c(Cl)ccc(OCC(=O)OC(C)(C)C)c12

HCID67458314

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Cc2ccc(-c3cnn(C(C)C)c3)cc2)c(OC(F)F)nc2c(Cl)ccc(OCC(=O)OC(C)(C)C)c12

HCID67457949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b262a434e3d04aa9a72aaad76078fb6f
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][c:9]1[c:10]2[c:11]([CH3:32])[c:12]([CH2:24][c:25]3[cH:26][cH:27][c:28]([Br:31])[cH:29][cH:30]3)[c:13]([O:20][CH:21]([F:22])[F:23])[n:14][c:15]2[c:16]([Cl:19])[cH:17][cH:18]1)=[O:33].[CH:34]([CH3:35])([CH3:36])[n:37]1[n:38][cH:39][c:40]([B:42]2[O:43][C:44]([CH3:45])([CH3:46])[C:47]([CH3:48])([CH3:49])[O:50]2)[cH:41]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][O:8][c:9]1[c:10]2[c:11]([CH3:32])[c:12]([CH2:24][c:25]3[cH:26][cH:27][c:28](-[c:40]4[cH:39][n:38][n:37]([CH:34]([CH3:35])[CH3:36])[cH:41]4)[cH:29][cH:30]3)[c:13]([O:20][CH:21]([F:22])[F:23])[n:14][c:15]2[c:16]([Cl:19])[cH:17][cH:18]1)=[O:33]