HRID1225768

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID4564495

tert-Butyl 2-(dimethoxyphosphoryl)acetate

C8H17O5P

结构：Cc1cc(COc2ccc(C3=NOC(C=O)C3)cc2)c2ccccc2n1

HCID21898078

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(COc2ccc(C3=NOC(C=CC(=O)OC(C)(C)C)C3)cc2)c2ccccc2n1

HCID69639678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74805b2bbdab49929ac09a0d3a70c3ca
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

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