HRID207945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

HCID6342

Acetonitrile

C2H3N

HCID278286

2-(2-aminophenyl)acetamide

C8H10N2O

HCID736817

1-Boc-4-(aminomethyl)piperidine

C11H22N2O2

HCID11412697

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CNC(=S)Nc2ccccc2CC(N)=O)CC1

HCID86610508

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ebb8e75cd0f04e7fa02bb4176083f568
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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