HRID696028

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(COc2nc(OCc3ccc(OC)cc3)c(C(C)C)c(C(=O)c3cccc(C=O)c3)n2)cc1

HCID59184820

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(COc2nc(OCc3ccc(OC)cc3)c(C(C)C)c(C(=O)c3cccc(C=CC#N)c3)n2)cc1

HCID66705554

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-58a48c860eff459c801c64a452560245
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([C:30](=[O:31])[c:32]2[cH:33][c:34]([CH:35]=[O:36])[cH:37][cH:38][cH:39]2)[n:6][c:7]([O:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]2)[n:8][c:9]1[O:10][CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1.[K+:56]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([C:30](=[O:31])[c:32]2[cH:33][c:34]([CH:35]=[CH:42][C:40]#[N:41])[cH:37][cH:38][cH:39]2)[n:6][c:7]([O:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([O:28][CH3:29])[cH:26][cH:27]2)[n:8][c:9]1[O:10][CH2:11][c:12]1[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]1