HRID1207076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID82029

4-Methylmorpholine 4-oxide

C5H11NO2

HCID166653

Hydride

H-

HCID16686348

未命名化合物

结构：CCOC(=O)c1c[nH]c(-c2ccccc2C(F)(F)F)c1

HCID66924625

未命名化合物

PRODUCTS

生成物

HCID86232775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-081481f6e2bb45b88a0bc9e0e37700c9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:22]([Al+:23][CH2:24][CH:25]([CH3:26])[CH3:27])[CH:28]([CH3:29])[CH3:30].[CH3:32][N+:33]1([O-:39])[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[CH3:52][C:53]#[N:54].[F:1][C:2]([c:3]1[c:4](-[c:9]2[cH:10][c:11]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[cH:12][nH:13]2)[cH:5][cH:6][cH:7][cH:8]1)([F:19])[F:20].[H-:21].[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1.[OH2:31]>>[F:1][C:2]([c:3]1[c:4](-[c:9]2[cH:10][c:11]([CH:14]=[O:15])[cH:12][nH:13]2)[cH:5][cH:6][cH:7][cH:8]1)([F:19])[F:20]