HRID140973

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

HCID15455

Tetraethyl methylenebis(phosphonate)

C9H22O6P2

HCID166653

Hydride

H-

结构：CCOC(=O)c1ccc(-c2nc(COc3ccc(COc4nn(-c5ccccc5)cc4C=O)cc3OC)c(C)o2)o1

HCID86605877

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(-c2nc(COc3ccc(COc4nn(-c5ccccc5)cc4C=CP(=O)(OCC)OCC)cc3OC)c(C)o2)o1

HCID90790101

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8ba3fb49d8ec4f3fa9fae55360b7be6f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:42]([P:43](=[O:44])([O:45][CH2:46][CH3:47])[O:48][CH2:49][CH3:50])[P:51]([O:52][CH2:53][CH3:54])([O:55][CH2:56][CH3:57])=[O:58].[CH3:59][N:60]([CH3:61])[CH:62]=[O:63].[CH:1](=[O:2])[c:3]1[c:4]([O:14][CH2:15][c:16]2[cH:17][c:18]([O:40][CH3:41])[c:19]([O:20][CH2:21][c:22]3[n:23][c:24](-[c:28]4[cH:29][cH:30][c:31]([C:33](=[O:34])[O:35][CH2:36][CH3:37])[o:32]4)[o:25][c:26]3[CH3:27])[cH:38][cH:39]2)[n:5][n:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1.[H-:64].[Na+:65].[OH2:66]>>[CH:1]([c:3]1[c:4]([O:14][CH2:15][c:16]2[cH:17][c:18]([O:40][CH3:41])[c:19]([O:20][CH2:21][c:22]3[n:23][c:24](-[c:28]4[cH:29][cH:30][c:31]([C:33](=[O:34])[O:35][CH2:36][CH3:37])[o:32]4)[o:25][c:26]3[CH3:27])[cH:38][cH:39]2)[n:5][n:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1)=[CH:42][P:51]([O:52][CH2:53][CH3:54])([O:55][CH2:56][CH3:57])=[O:58]