HRID2126936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID17750212

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine

C10H16BN3O2

结构：FC(F)(F)c1ccc(-c2cc(-c3cccc(Br)c3)nc(C(F)(F)F)c2)cc1

HCID57468795

未命名化合物

PRODUCTS

生成物

结构：Nc1ncc(-c2cccc(-c3cc(-c4ccc(C(F)(F)F)cc4)cc(C(F)(F)F)n3)c2)cn1

HCID60209454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc7a6da80da94d6084b765b6185968ff
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](-[c:8]2[n:9][c:10]([C:24]([F:25])([F:26])[F:27])[cH:11][c:12](-[c:14]3[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[cH:13]2)[cH:5][cH:6][cH:7]1.[NH2:28][c:29]1[n:30][cH:31][c:32]([B:35]2[O:36][C:37]([CH3:38])([CH3:39])[C:40]([CH3:41])([CH3:42])[O:43]2)[cH:33][n:34]1>>[c:2]1(-[c:32]2[cH:31][n:30][c:29]([NH2:28])[n:34][cH:33]2)[cH:3][c:4](-[c:8]2[n:9][c:10]([C:24]([F:25])([F:26])[F:27])[cH:11][c:12](-[c:14]3[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]3)[cH:13]2)[cH:5][cH:6][cH:7]1