HRID309453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)N1CC(n2cc(B3OC(C)(C)C(C)(C)O3)cn2)C1

HCID54576812

tert-Butyl 3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]azetidine-1-carboxylate

C17H28BN3O4

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

HCID66886748

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(-c3cnn(C4CN(C(=O)OC(C)(C)C)C4)c3)ccc1-2

HCID58204113

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f11709f6a2e041dfab835cab2f716446
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][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]([CH:37]3[CH2:38][N:39]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:40]3)[cH:36]2)[O:48]1>>[c:2]1(-[c:32]2[cH:33][n:34][n:35]([CH:37]3[CH2:38][N:39]([C:41](=[O:42])[O:43][C:44]([CH3:45])([CH3:46])[CH3:47])[CH2:40]3)[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