HRID101786

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)cc2)CC1

HCID17998905

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

C17H27BN2O2

HCID44199730

(2-bromo-5H-pyrrolo[2,3-b]pyrazin-7-yl)-(1-methyl-cyclohexyl)-methanone

C14H16BrN3O

PRODUCTS

生成物

结构：CN1CCN(c2ccc(-c3cnc4[nH]cc(C(=O)C5(C)CCCCC5)c4n3)cc2)CC1

HCID59540597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-339c1e52dcbd44e79fced8e20173e962
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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