HRID2132594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)Cn1cc(B2OC(C)(C)C(C)(C)O2)cn1

HCID16218385

Ethyl [4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]acetate

C13H21BN2O4

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(Br)ccc1-2

HCID66886748

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cn1cc(-c2ccc3c(c2)OCCc2sc(-c4ncnn4C(C)C)nc2-3)cn1

HCID58203911

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2063d6c0534d481e8ac5f2d06df3f499
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

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