HRID319409

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8028

Tetrahydrofuran

C4H8O

HCID75676

Diethyl (cyanomethyl)phosphonate

C6H12NO3P

HCID4574913

未命名化合物

结构：COc1nc(OC)c(C(C)C)c(C(=O)c2cc(C)cc(C=O)c2)n1

HCID59184861

未命名化合物

PRODUCTS

生成物

结构：COc1nc(OC)c(C(C)C)c(C(=O)c2cc(C)cc(C=CC#N)c2)n1

HCID66705544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08b7729f9f4543c583ea611d29277457
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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