HRID164622

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

2 次

HCID6386

tert-Butyl alcohol

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID30318

Osmium tetroxide

O4Os

HCID82029

4-Methylmorpholine 4-oxide

C5H11NO2

HCID104748

Sulfurous acid, ion(1-)

HO3S-

结构：C=CCN(CC(C)(C)C)c1ccc(C#N)c(C(F)(F)F)c1

HCID11208681

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)CN(CC=O)c1ccc(C#N)c(C(F)(F)F)c1

HCID11289510

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a202696f7bc482fb3410b9228343169
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:41]([OH:42])([CH3:43])([CH3:44])[CH3:45].[CH2:35]1[O:36][CH2:37][CH2:38][CH2:39]1.[CH3:1][C:2]([CH2:3][N:4]([c:5]1[cH:6][c:7]([C:13]([F:14])([F:15])[F:16])[c:8]([C:9]#[N:10])[cH:11][cH:12]1)[CH2:17][CH:18]=[CH2:19])([CH3:20])[CH3:21].[CH3:22][N+:23]1([O-:24])[CH2:25][CH2:27][O:26][CH2:28][CH2:29]1.[Na+:34].[O:47]=[Os:48](=[O:49])(=[O:50])=[O:51].[OH2:40].[OH2:46].[S:30](=[O:31])([OH:32])[O-:33]>>[CH3:1][C:2]([CH2:3][N:4]([c:5]1[cH:6][c:7]([C:13]([F:14])([F:15])[F:16])[c:8]([C:9]#[N:10])[cH:11][cH:12]1)[CH2:17][CH:18]=[O:26])([CH3:20])[CH3:21]