HRID1127487

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23938

Palladium

结构：CC(C)n1ncnc1-c1cn2c(n1)-c1ccc(Br)cc1OCC2

HCID58204313

未命名化合物

结构：CCOC(=O)C(C)(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1

HCID58204434

ethyl 2-methyl-2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate

C15H25BN2O4

PRODUCTS

生成物

结构：CCOC(=O)C(C)(C)n1cc(-c2ccc3c(c2)OCCn2cc(-c4ncnn4C(C)C)nc2-3)cn1

HCID58204918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8edca5b7928747198d5f8f33926af97d
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

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