HRID87771

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID39

Keto-pantoyllactone

C6H8O3

HCID1140

Toluene

C7H8

HCID16028

Tetrabutylammonium

C16H36N+

HCID84468

Trifluoroacetate

C2F3O2-

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-b906981742464a4990d7f0ca9d2f3b8c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[CH2:56]([N+:57]([CH2:58][CH2:59][CH2:60][CH3:61])([CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH3:72].[CH3:1][C:2]1([CH3:9])[C:3](=[O:8])[C:4](=[O:7])[O:5][CH2:6]1.[CH3:73][c:74]1[cH:75][cH:76][cH:77][cH:78][cH:79]1.[F:49][C:50]([F:51])([F:52])[C:53]([O-:54])=[O:55].[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