HRID315515

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID7847

Acrolein

C3H4O

HCID8028

Tetrahydrofuran

C4H8O

HCID15413

Methyl tert-butyl ether

C5H12O

HCID16028

Tetrabutylammonium

C16H36N+

2 次

HCID28179

Fluoride

F-

HCID61778

Bisulfate anion

HO4S-

HCID79177

Acetic acid, bromo-, 1,1-dimethylethyl ester

C6H11BrO2

HCID552549

(Trifluoromethyl)trimethylsilane

C4H9F3Si

PRODUCTS

生成物

HCID86668365

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e9d0f9517594504a60f86ae3656002e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:31][CH2:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39].[CH2:14]([N+:15]([CH2:16][CH2:17][CH2:18][CH3:19])([CH2:20][CH2:21][CH2:22][CH3:23])[CH2:24][CH2:25][CH2:26][CH3:27])[CH2:28][CH2:29][CH3:30].[CH2:47]([N+:48]([CH2:49][CH2:50][CH2:51][CH3:52])([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH3:63].[CH2:71]1[O:72][CH2:73][CH2:74][CH2:75]1.[CH3:64][O:65][C:66]([CH3:67])([CH3:68])[CH3:69].[CH3:76][c:77]1[cH:78][cH:79][cH:80][cH:81][cH:82]1.[CH:1](=[O:2])[CH:3]=[CH2:4].[F-:13].[F:5][C:6]([F:7])([F:8])[Si:9]([CH3:10])([CH3:11])[CH3:12].[Na+:41].[OH-:40].[OH2:70].[S:42]([O-:43])([OH:44])(=[O:45])=[O:46]>>[CH:1]([O:2][CH2:32][C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])([CH:3]=[CH2:4])[C:6]([F:5])([F:7])[F:8]