HRID1202844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID3280088

未命名化合物

HCID12986357

未命名化合物

结构：COC(=O)c1sc(C#CC(C)(C)C)cc1Nc1ccc(Oc2ccccn2)cc1

HCID58114098

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1sc(C#CC(C)(C)C)cc1N(C(=O)C1CCC(C)CC1)c1ccc(Oc2ccccn2)cc1

HCID58113863

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7ce8ee463eb3428d97bf68fbafb129a4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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