HRID151303

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：CC(C)C(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1

HCID11078513

2-Butanone, 3-methyl-1-(triphenylphosphoranylidene)-

C23H23OP

HCID53706805

未命名化合物

PRODUCTS

生成物

HCID6417

2,2-Dimethylpropanoic acid

C5H10O2

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

HCID178503047

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d79e5f8ad834450d88c0ef52e8e80bcc
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

[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](=[O:16])[CH:15]12.[CH3:23][CH:24]([C:25](=[O:26])[CH:27]=[P:28]([c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1)([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[c:41]1[cH:42][cH:43][cH:44][cH:45][cH:46]1)[CH3:47].[cH:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]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:27][C:25]([CH:24]([CH3:23])[CH3:47])=[O:26])[CH:15]12