HRID167672

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID4233041

3-Boc-aminopiperidine

C10H20N2O2

HCID57489606

未命名化合物

PRODUCTS

生成物

结构：CCN(CC)c1ccc(Nc2nc(N3CCCC(NC(=O)OC(C)(C)C)C3)ccc2C(N)=O)cc1

HCID57489607

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4278c795cd5a4ccdb79decfc31c8f843
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

[CH3:46][N:47]1[CH2:48][CH2:49][CH2:50][C:51]1=[O:52].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[n:3][c:4]([NH:11][c:12]2[cH:13][cH:14][c:15]([N:18]([CH2:19][CH3:20])[CH2:21][CH3:22])[cH:16][cH:17]2)[c:5]([C:6](=[O:7])[NH2:8])[cH:9][cH:10]1.[NH:23]1[CH2:24][CH:25]([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:26][CH2:27][CH2:28]1>>[c:2]1([N:23]2[CH2:24][CH:25]([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:26][CH2:27][CH2:28]2)[n:3][c:4]([NH:11][c:12]2[cH:13][cH:14][c:15]([N:18]([CH2:19][CH3:20])[CH2:21][CH3:22])[cH:16][cH:17]2)[c:5]([C:6](=[O:7])[NH2:8])[cH:9][cH:10]1