HRID1238150

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：COc1ccc(CNc2cc(Cn3c(Oc4cc(C)cc(C=O)c4)c(C(C)C)c(=O)[nH]c3=O)cc(F)n2)cc1

HCID59184868

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2cc(Cn3c(Oc4cc(C)cc(C=CC#N)c4)c(C(C)C)c(=O)[nH]c3=O)cc(F)n2)cc1

HCID66705452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f79b2f0be024aac91dbe3e32f3de942
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

[C:40](#[N:41])[CH2:42][P:43](=[O:44])([O:45][CH2:46][CH3:47])[O:48][CH2:49][CH3:50].[CH2:57]1[O:58][CH2:59][CH2:60][CH2:61]1.[CH3:51][C:52]([CH3:53])([O-:54])[CH3:55].[F:1][c:2]1[n:3][c:4]([NH:30][CH2:31][c:32]2[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]2)[cH:5][c:6]([CH2:8][n:9]2[c:10](=[O:29])[nH:11][c:12](=[O:28])[c:13]([CH:25]([CH3:26])[CH3:27])[c:14]2[O:15][c:16]2[cH:17][c:18]([CH:19]=[O:20])[cH:21][c:22]([CH3:24])[cH:23]2)[cH:7]1.[K+:56]>>[F:1][c:2]1[n:3][c:4]([NH:30][CH2:31][c:32]2[cH:33][cH:34][c:35]([O:38][CH3:39])[cH:36][cH:37]2)[cH:5][c:6]([CH2:8][n:9]2[c:10](=[O:29])[nH:11][c:12](=[O:28])[c:13]([CH:25]([CH3:26])[CH3:27])[c:14]2[O:15][c:16]2[cH:17][c:18]([CH:19]=[CH:42][C:40]#[N:41])[cH:21][c:22]([CH3:24])[cH:23]2)[cH:7]1