HRID2324628

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID6417

2,2-Dimethylpropanoic acid

C5H10O2

结构：CCOP(=O)(CC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1)OCC

HCID4361785

DIETHYL [2-OXO-3-(TRIPHENYLPHOSPHORANYLIDENE)PROPYL]PHOSPHONATE

C25H28O4P2

HCID53706805

未命名化合物

PRODUCTS

生成物

HCID6417

2,2-Dimethylpropanoic acid

C5H10O2

结构：C=S1C2C(=CC(=O)CP(=O)(OCC)OCC)C(=O)N2C(C(=O)O)C1(C)C

HCID178503050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cadc89d1f89748f2910620a3e59072b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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