HRID302198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID31275

1,4-Dioxane

C4H8O2

HCID521157

Ethylboronic acid

C2H7BO2

结构：COC(=O)c1cc(Br)ccc1Nc1cc(C(C)(C)C)nn1-c1ccccc1C

HCID58958623

未命名化合物

PRODUCTS

生成物

结构：CCc1ccc(Nc2cc(C(C)(C)C)nn2-c2ccccc2C)c(C(=O)OC)c1

HCID58958598

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9beb10ba0e0f40529b6d08f2f6985c9d
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

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