HRID1542102

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID2760898

Tert-butyl 2,5-diazabicyclo[2.2.1]heptane-2-carboxylate

C10H18N2O2

HCID67206403

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC2CC1CN2Cc1ccc(Cc2nc3ccccc3s2)cc1

HCID67206468

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e76983101f854447b93116d723849e93
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

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