HRID179481

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C

HCID74266

Tetraisopropyl methylenediphosphonate

C13H30O6P2

HCID166653

Hydride

H-

结构：COc1cc(COc2nn(-c3ccccc3)cc2C=O)ccc1OCc1nc(-c2ccco2)oc1C

HCID86605775

未命名化合物

PRODUCTS

生成物

结构：COc1cc(COc2nn(-c3ccccc3)cc2C=CP(=O)(OC(C)C)OC(C)C)ccc1OCc1nc(-c2ccco2)oc1C

HCID90782817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5080fa0eb353439aac8992d57f02a4e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:37]([P:38](=[O:39])([O:40][CH:41]([CH3:42])[CH3:43])[O:44][CH:45]([CH3:46])[CH3:47])[P:48]([O:49][CH:50]([CH3:51])[CH3:52])([O:53][CH:54]([CH3:55])[CH3:56])=[O:57].[CH3:58][N:59]([CH3:60])[CH:61]=[O:62].[H-:63].[Na+:64].[OH2:65].[o:1]1[c:2](-[c:6]2[o:7][c:8]([CH3:36])[c:9]([CH2:11][O:12][c:13]3[c:14]([O:34][CH3:35])[cH:15][c:16]([CH2:17][O:18][c:19]4[n:20][n:21](-[c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[cH:22][c:23]4[CH:24]=[O:25])[cH:32][cH:33]3)[n:10]2)[cH:3][cH:4][cH:5]1>>[o:1]1[c:2](-[c:6]2[o:7][c:8]([CH3:36])[c:9]([CH2:11][O:12][c:13]3[c:14]([O:34][CH3:35])[cH:15][c:16]([CH2:17][O:18][c:19]4[n:20][n:21](-[c:26]5[cH:27][cH:28][cH:29][cH:30][cH:31]5)[cH:22][c:23]4[CH:24]=[CH:37][P:48]([O:49][CH:50]([CH3:51])[CH3:52])([O:53][CH:54]([CH3:55])[CH3:56])=[O:57])[cH:32][cH:33]3)[n:10]2)[cH:3][cH:4][cH:5]1