HRID676680

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

结构：FC(F)(F)c1ccc(Cl)cc1CN1CCNc2ncc(I)cc21

HCID57886085

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2ccc(-c3cnc4c(c3)N(Cc3cc(Cl)ccc3C(F)(F)F)CCN4)cn2)CC1

HCID46871637

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3dfb90d67e6e4d10a3daefda783de338
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

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