HRID177901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7204875

4-Bromo-1,2-dimethyl-1H-imidazole

C5H7BrN2

结构：CCOC(=O)Cc1cccc(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2CN2C(=O)OC(c3ccccc3)C2C)c1

HCID67105530

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1cccc(Oc2ccc(-c3cn(C)c(C)n3)cc2CN2C(=O)OC(c3ccccc3)C2C)c1

HCID67106127

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-af51d6f929aa4fc9bbe3a39af13670f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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