HRID163202

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

结构：CN1CCN(c2cc(B3OC(C)(C)C(C)(C)O3)ccn2)CC1

HCID2769537

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

C16H26BN3O2

HCID57885895

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2cc(-c3cnc4c(c3)C(Oc3cccc(Cl)c3)CCN4)ccn2)CC1

HCID57886086

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d09409532ac54a608164cb2883ef8eef
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]2[c:9]([n:10][cH:11]1)[NH:8][CH2:7][CH2:6][CH:5]2[O:12][c:13]1[cH:14][c:15]([Cl:19])[cH:16][cH:17][cH:18]1.[C:48]([O:49][CH2:50][CH3:51])(=[O:52])[CH3:53].[CH3:20][N:21]1[CH2:22][CH2:23][N:24]([c:27]2[n:28][cH:29][cH:30][c:31]([B:33]3[O:34][C:35]([CH3:36])([CH3:37])[C:38]([CH3:39])([CH3:40])[O:41]3)[cH:32]2)[CH2:25][CH2:26]1.[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH3:47]>>[c:2]1(-[c:31]2[cH:30][cH:29][n:28][c:27]([N:24]3[CH2:23][CH2:22][N:21]([CH3:20])[CH2:26][CH2:25]3)[cH:32]2)[cH:3][c:4]2[c:9]([n:10][cH:11]1)[NH:8][CH2:7][CH2:6][CH:5]2[O:12][c:13]1[cH:14][c:15]([Cl:19])[cH:16][cH:17][cH:18]1