HRID675441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2756421

2-(AMINOETHYL)-1-N-BOC-PIPERIDINE

C12H24N2O2

HCID21930988

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCCC1CCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12

HCID21068457

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dee8ac1b042e466abb04ebdb508b922e
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

[Br:1][c:2]1[cH:3][n:4][n:5]2[c:6]1[n:7][c:8](-[c:12]1[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]1)[cH:9][c:10]2[Cl:11].[C:19]([CH3:20])([CH3:21])([CH3:22])[O:23][C:24](=[O:25])[N:26]1[CH:27]([CH2:32][CH2:33][NH2:34])[CH2:28][CH2:29][CH2:30][CH2:31]1.[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43]>>[Br:1][c:2]1[cH:3][n:4][n:5]2[c:6]1[n:7][c:8](-[c:12]1[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]1)[cH:9][c:10]2[NH:34][CH2:33][CH2:32][CH:27]1[N:26]([C:24]([O:23][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:25])[CH2:31][CH2:30][CH2:29][CH2:28]1