HRID2326068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID81531

Diisopropylethylamine

C8H19N

HCID6538904

6-Chloro-2-iodo-9-isopropyl-9H-purine

C8H8ClIN4

结构：CCOC([PH2]=O)(c1ccc(N)cc1)P(=O)(OCC)OCC

HCID178473680

未命名化合物

PRODUCTS

生成物

结构：CCOC([PH2]=O)(c1ccc(Nc2nc(I)nc3c2ncn3C(C)C)cc1)P(=O)(OCC)OCC

HCID178473679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-450a58a27c254901a52ba0a8a14a5f3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:15]([CH3:16])[O:17][P:18]([O:19][CH2:20][CH3:21])(=[O:22])[C:23]([PH2:24]=[O:25])([O:26][CH2:27][CH3:28])[c:29]1[cH:30][cH:31][c:32]([NH2:35])[cH:33][cH:34]1.[CH3:45][CH2:46][OH:47].[CH:36]([N:37]([CH2:38][CH3:39])[CH:40]([CH3:41])[CH3:42])([CH3:43])[CH3:44].[Cl:1][c:2]1[c:3]2[n:4][cH:5][n:6]([CH:12]([CH3:13])[CH3:14])[c:7]2[n:8][c:9]([I:11])[n:10]1>>[c:2]1([NH:35][c:32]2[cH:31][cH:30][c:29]([C:23]([P:18]([O:17][CH2:15][CH3:16])([O:19][CH2:20][CH3:21])=[O:22])([PH2:24]=[O:25])[O:26][CH2:27][CH3:28])[cH:34][cH:33]2)[c:3]2[n:4][cH:5][n:6]([CH:12]([CH3:13])[CH3:14])[c:7]2[n:8][c:9]([I:11])[n:10]1