HRID700970

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CN1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

HCID2769618

1-Methyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine

C16H26BN3O2

HCID57886013

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(F)ccc3F)CCN4)cn2)CC1

HCID24853329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-66bb1ee079844e7689bdbbd7e53c7834
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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