HRID157797

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID8028

Tetrahydrofuran

C4H8O

HCID81646

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

C6H12N2O

HCID166653

Hydride

H-

HCID5152094

2-Chloro-5-cyanopyridine

C6H3ClN2

结构：COC(=O)C1CC2CCCC(C1)C2N1CC(CO)C(C)(C)C1=O

HCID66656952

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CC2CCCC(C1)C2N1CC(COc2ccc(C#N)cn2)C(C)(C)C1=O

HCID66656924

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2f21997113934029a5d64e9591f4243f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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