HRID2135542

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)Cc1ccc(-c2nc(COc3ccc(COc4nn(-c5ccccc5)cc4C=O)cc3OC)c(C)o2)cc1

HCID86605875

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)Cc1ccc(-c2nc(COc3ccc(COc4nn(-c5ccccc5)cc4C=CP(=O)(OCC)OCC)cc3OC)c(C)o2)cc1

HCID90875805

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3318ca4cdd564399b15100e2d9afb131
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:44]([P:45]([O:46][CH2:47][CH3:48])([O:49][CH2:50][CH3:51])=[O:52])[P:53](=[O:54])([O:55][CH2:56][CH3:57])[O:58][CH2:59][CH3:60].[CH3:61][N:62]([CH3:63])[CH:64]=[O:65].[CH:1](=[O:2])[c:3]1[c:4]([O:14][CH2:15][c:16]2[cH:17][c:18]([O:42][CH3:43])[c:19]([O:20][CH2:21][c:22]3[n:23][c:24](-[c:28]4[cH:29][cH:30][c:31]([CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:32][cH:33]4)[o:25][c:26]3[CH3:27])[cH:40][cH:41]2)[n:5][n:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1.[H-:66].[Na+:67].[OH2:68]>>[CH:1]([c:3]1[c:4]([O:14][CH2:15][c:16]2[cH:17][c:18]([O:42][CH3:43])[c:19]([O:20][CH2:21][c:22]3[n:23][c:24](-[c:28]4[cH:29][cH:30][c:31]([CH2:34][C:35](=[O:36])[O:37][CH2:38][CH3:39])[cH:32][cH:33]4)[o:25][c:26]3[CH3:27])[cH:40][cH:41]2)[n:5][n:6](-[c:8]2[cH:9][cH:10][cH:11][cH:12][cH:13]2)[cH:7]1)=[CH:44][P:45]([O:46][CH2:47][CH3:48])([O:49][CH2:50][CH3:51])=[O:52]