HRID1205125

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：COC(=O)c1cc(-c2nc(COc3ccc(COc4nn(-c5ccccc5)cc4C=O)cc3OC)c(C)o2)ccc1C

HCID86605902

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(C=Cc1cn(-c2ccccc2)nc1OCc1ccc(OCc2nc(-c3ccc(C)c(C(=O)OC)c3)oc2C)c(OC)c1)OCC

HCID91333553

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f940397f600448eb91a1dce9475327f0
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

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