HRID205528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)OP(=O)(CP(=O)(OC(C)C)OC(C)C)OC(C)C

HCID74266

Tetraisopropyl methylenediphosphonate

C13H30O6P2

HCID166653

Hydride

H-

HCID10959531

未命名化合物

PRODUCTS

生成物

结构：CC(C)OP(=O)(OC(C)C)C(CCOC(c1ccccc1)(c1ccccc1)c1ccccc1)P(=O)(OC(C)C)OC(C)C

HCID21841998

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-528be5b5ae494190af95b46793c057ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:3][CH2:4][CH2:5][O:6][C:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1.[CH2:26]([P:27]([O:28][CH:29]([CH3:30])[CH3:31])([O:32][CH:33]([CH3:34])[CH3:35])=[O:36])[P:37]([O:38][CH:39]([CH3:40])[CH3:41])([O:42][CH:43]([CH3:44])[CH3:45])=[O:46].[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[Cl-:47].[H-:1].[NH4+:48].[Na+:2]>>[CH2:4]([CH2:5][O:6][C:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[CH:26]([P:27]([O:28][CH:29]([CH3:30])[CH3:31])([O:32][CH:33]([CH3:34])[CH3:35])=[O:36])[P:37]([O:38][CH:39]([CH3:40])[CH3:41])([O:42][CH:43]([CH3:44])[CH3:45])=[O:46]