HRID1544587

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID13139

Diethyl phosphorochloridate

C4H10ClO3P

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

结构：CCOc1ccc2c(C#N)c(-c3ccc(N)cc3)n(CC)c2c1

HCID59425274

未命名化合物

PRODUCTS

生成物

结构：CCOc1ccc2c(C#N)c(-c3ccc(NP(=O)(OCC)OCC)cc3)n(CC)c2c1

HCID59425449

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-737e72a784944d67babc63e88e11762c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:48]1[O:49][CH2:50][CH2:51][O:52][CH2:53]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[NH2:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH2:22][CH3:23])[c:10]3[cH:11][c:12]([O:19][CH2:20][CH3:21])[cH:13][cH:14][c:15]3[c:16]2[C:17]#[N:18])[cH:6][cH:7]1.[P:24](=[O:25])([O:26][CH2:27][CH3:28])([O:29][CH2:30][CH3:31])[Cl:32]>>[NH:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9]([CH2:22][CH3:23])[c:10]3[cH:11][c:12]([O:19][CH2:20][CH3:21])[cH:13][cH:14][c:15]3[c:16]2[C:17]#[N:18])[cH:6][cH:7]1)[P:24](=[O:25])([O:26][CH2:27][CH3:28])[O:29][CH2:30][CH3:31]