HRID148727

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：COc1cc(COc2nn(-c3ccccc3)cc2C=O)ccc1OCc1nc(-c2cccnc2)oc1C

HCID86605855

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(C=Cc1cn(-c2ccccc2)nc1OCc1ccc(OCc2nc(-c3cccnc3)oc2C)c(OC)c1)OCC

HCID91360220

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c32d7d2ea614c6b9941009c290d8490
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

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