HRID163840

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID712

Formaldehyde

CH2O

HCID1140

Toluene

C7H8

HCID75806

Phosphine, tricyclohexyl-

C18H33P

HCID2735001

2-(Acetoxymethyl)-3-acetoxy-1-propene

C8H12O4

HCID10965568

未命名化合物

HCID11019931

4,5-Bis(acetyloxy)pentanal

C9H14O5

HCID178418361

未命名化合物

PRODUCTS

生成物

HCID84699

3-Methyl-4-oxobut-2-en-1-yl acetate

C7H10O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b54011d1e0049279caf8dfee012172a
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]([O:2][CH:3]([CH2:4][O:5][C:6](=[O:7])[CH3:8])[CH:9]=[CH2:10])(=[O:11])[CH3:12].[C:34]=[O:35].[C:36]([CH3:37])(=[O:38])[O:39][CH2:40][CH:41]([CH:42]([CH3:43])[CH:44]=[O:45])[O:46][C:47](=[O:48])[CH3:49].[C:50]([O:51][CH:52]([CH2:53][O:54][C:55](=[O:56])[CH3:57])[CH2:58][CH2:59][CH:60]=[O:61])(=[O:62])[CH3:63].[CH3:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[CH3:71][C:72](=[O:73])[OH:74].[CH:13]1([P:14]([CH:15]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]2)[CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[CH2:27][CH2:28][CH2:29][CH2:30][CH2:31]1.[H:32][H:33]>>[C:36]([CH3:37])(=[O:38])[O:39][CH2:40][CH:41]=[C:42]([CH3:43])[CH:44]=[O:45]