HRID100239

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

HCID13345

Triethyl phosphonoacetate

C8H17O5P

HCID166653

Hydride

H-

结构：COc1cc(COc2cc(C=O)n(-c3ccccc3)n2)ccc1OCc1nc(-c2ccco2)oc1C

HCID86591671

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1cc(OCc2ccc(OCc3nc(-c4ccco4)oc3C)c(OC)c2)nn1-c1ccccc1

HCID90738001

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37e465f22b444304bbbcd2105e49300c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:37]([O:38][P:39]([O:40][CH2:41][CH3:42])(=[O:43])[CH2:45][C:46](=[O:47])[O:48][CH2:49][CH3:50])[CH3:44].[CH3:51][N:52]([CH3:53])[CH:54]=[O:55].[H-:56].[Na+:57].[OH2:58].[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)[c:22]([CH:24]=[O:25])[cH:23]4)[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)[c:22]([CH:24]=[CH:45][C:46](=[O:47])[O:48][CH2:49][CH3:50])[cH:23]4)[cH:32][cH:33]3)[n:10]2)[cH:3][cH:4][cH:5]1