HRID86036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8037

N,N,N',N'-Tetramethylethylenediamine

C6H16N2

HCID9256

Thiazole

C3H3NS

HCID178418339

Butyllithium

C4H9Li

结构：CNC(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)N(C)OC)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

HCID178484716

未命名化合物

PRODUCTS

生成物

结构：CNC(C(=O)NC(C(=O)N(C)C(C=C(C)C(=O)c1nccs1)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

HCID178484704

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cad83a8937341298b2f045081e28dff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH3:14][CH2:15][CH2:16][CH2:17][Li:18].[CH3:19][NH:20][CH:21]([C:22]([c:23]1[cH:24][cH:25][cH:26][cH:27][cH:28]1)([CH3:29])[CH3:30])[C:31](=[O:32])[NH:33][CH:34]([C:35]([CH3:36])([CH3:37])[CH3:38])[C:39](=[O:40])[N:41]([CH3:42])[CH:43]([CH:44]=[C:45]([C:46](=[O:47])[N:48]([O:49][CH3:50])[CH3:51])[CH3:52])[CH:53]([CH3:54])[CH3:55].[CH3:6][N:7]([CH3:8])[CH2:9][CH2:10][N:11]([CH3:12])[CH3:13].[cH:1]1[cH:2][s:3][cH:4][n:5]1>>[cH:1]1[cH:2][s:3][c:4]([C:46]([C:45](=[CH:44][CH:43]([N:41]([C:39]([CH:34]([NH:33][C:31]([CH:21]([NH:20][CH3:19])[C:22]([c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)([CH3:29])[CH3:30])=[O:32])[C:35]([CH3:36])([CH3:37])[CH3:38])=[O:40])[CH3:42])[CH:53]([CH3:54])[CH3:55])[CH3:52])=[O:47])[n:5]1