HRID698598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID28486

Lithium ion

Li+

HCID552549

(Trifluoromethyl)trimethylsilane

C4H9F3Si

HCID59492531

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cc(C)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2

HCID59492634

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6232c7d0457641b29af030ad09d038ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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