HRID1234716

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID1514258

tert-Butyl 4-(2-aminoethyl)piperidine-1-carboxylate

C12H24N2O2

HCID86625385

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1ccc2cc(-c3nc(NCCC4CCN(C(=O)OC(C)(C)C)CC4)ncc3C)sc2c1

HCID68857907

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1446bd4384444838bb2a664ba1b3e24a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:22]([CH3:23])([CH3:24])([CH3:25])[O:26][C:27](=[O:28])[N:29]1[CH2:30][CH2:31][CH:32]([CH2:35][CH2:36][NH2:37])[CH2:33][CH2:34]1.[CH2:47]1[O:48][CH2:49][CH2:50][O:51][CH2:52]1.[CH3:1][NH:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([s:10][c:11](-[c:13]3[n:14][c:15]([Cl:20])[n:16][cH:17][c:18]3[CH3:19])[cH:12]2)[cH:21]1.[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46]>>[CH3:1][NH:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]2[c:9]([s:10][c:11](-[c:13]3[n:14][c:15]([NH:37][CH2:36][CH2:35][CH:32]4[CH2:31][CH2:30][N:29]([C:27]([O:26][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:28])[CH2:34][CH2:33]4)[n:16][cH:17][c:18]3[CH3:19])[cH:12]2)[cH:21]1