HRID1114272

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID16028

Tetrabutylammonium

C16H36N+

HCID30165

Iodide ion

I-

HCID81646

2(1H)-Pyrimidinone, tetrahydro-1,3-dimethyl-

C6H12N2O

HCID166653

Hydride

H-

HCID43166756

未命名化合物

HCID57429079

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2ccc(F)cc2)nn1CCC(C)(C)NC(=O)OC(C)(C)C

HCID66886384

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7043ace83c05462fa0f80e8913177ff1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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