HRID148695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID545809

1-BOC-3-Aminopiperidine

C10H20N2O2

HCID57725430

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC(Nc2nc3ccc(Oc4ccnc(Cl)c4)cc3s2)C1

HCID87421241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-456c5851122740b28194884947a196d4
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

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