HRID1536305

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID4233041

3-Boc-aminopiperidine

C10H20N2O2

结构：NC(=O)c1ccc(Cl)nc1Nc1ccc(C(=O)N2CCOCC2)cc1

HCID57489601

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCCN(c2ccc(C(N)=O)c(Nc3ccc(C(=O)N4CCOCC4)cc3)n2)C1

HCID66832983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-906620e7eb8d4bb9833c05e92238be1e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:15][c:16]1[n:17][c:18]([NH:25][c:26]2[cH:27][cH:28][c:29]([C:32](=[O:33])[N:34]3[CH2:35][CH2:36][O:37][CH2:38][CH2:39]3)[cH:30][cH:31]2)[c:19]([C:20](=[O:21])[NH2:22])[cH:23][cH:24]1.[NH:1]1[CH2:2][CH:3]([NH:7][C:8]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[CH2:4][CH2:5][CH2:6]1.[OH2:56]>>[N:1]1([c:16]2[n:17][c:18]([NH:25][c:26]3[cH:27][cH:28][c:29]([C:32](=[O:33])[N:34]4[CH2:35][CH2:36][O:37][CH2:38][CH2:39]4)[cH:30][cH:31]3)[c:19]([C:20](=[O:21])[NH2:22])[cH:23][cH:24]2)[CH2:2][CH:3]([NH:7][C:8]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[CH2:4][CH2:5][CH2:6]1