HRID166269

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID166653

Hydride

H-

HCID10420887

5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-2-naphthalenecarbaldehyde

C15H20O

结构：CCOP(=O)(Cc1ccc(P(=O)(OCC)OCC)cc1)OCC

HCID19857614

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(OCC)c1ccc(C=Cc2ccc3c(c2)C(C)(C)CCC3(C)C)cc1

HCID178476957

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b5bc56a59254c4abb33af00616fca13
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

[CH2:1]([O:2][P:3]([O:4][CH2:5][CH3:6])(=[O:7])[CH2:9][c:10]1[cH:11][cH:12][c:13]([P:16]([O:17][CH2:18][CH3:19])(=[O:20])[O:21][CH2:22][CH3:23])[cH:14][cH:15]1)[CH3:8].[CH3:43][S:44](=[O:45])[CH3:46].[CH:26](=[O:27])[c:28]1[cH:29][c:30]2[c:35]([cH:36][cH:37]1)[C:34]([CH3:38])([CH3:39])[CH2:33][CH2:32][C:31]2([CH3:40])[CH3:41].[ClH:42].[H-:24].[Na+:25]>>[CH:9]([c:10]1[cH:11][cH:12][c:13]([P:16]([O:17][CH2:18][CH3:19])(=[O:20])[O:21][CH2:22][CH3:23])[cH:14][cH:15]1)=[CH:26][c:28]1[cH:29][c:30]2[c:35]([cH:36][cH:37]1)[C:34]([CH3:38])([CH3:39])[CH2:33][CH2:32][C:31]2([CH3:40])[CH3:41]