HRID1128816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID39

Keto-pantoyllactone

C6H8O3

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID3731655

未命名化合物

HCID4428041

未命名化合物

PRODUCTS

产物

HCID989

2(3H)-Furanone, dihydro-3-hydroxy-4,4-dimethyl-

C6H10O3

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a274987cdf054bca99f32184f9a07b96
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH2:63]([N+:64]([CH2:65][CH2:66][CH2:67][CH3:68])([CH2:69][CH2:70][CH2:71][CH3:72])[CH2:73][CH2:74][CH2:75][CH3:76])[CH2:77][CH2:78][CH3:79].[CH3:1][C:2]1([CH3:9])[C:3](=[O:8])[C:4](=[O:7])[O:5][CH2:6]1.[CH3:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1.[F:49][c:50]1[c:51]([C:52]([O-:53])=[O:54])[c:55]([F:56])[c:57]([F:58])[c:59]([F:60])[c:61]1[F:62].[c:10]1([P:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[CH:18]2[CH2:19][N:20]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH:28]([CH2:29][P:30]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[CH2:43]2)[cH:44][cH:45][cH:46][cH:47][cH:48]1>>[CH3:1][C:2]1([CH3:9])[CH:3]([OH:8])[C:4](=[O:7])[O:5][CH2:6]1