HRID836249

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID6344

Dichloromethane

CH2Cl2

HCID6406

2-Hydroxy-2-methylpropanenitrile

C4H7NO

HCID8471

Triethylamine

C6H15N

HCID67561

alpha,alpha,alpha-Trifluoro-o-toluoyl chloride

C8H4ClF3O

HCID498716

未命名化合物

HCID54682301

未命名化合物

PRODUCTS

生成物

结构：O=C1OC(CCc2ccccc2)(c2ccccc2)CC(O)=C1Cc1ccccc1C(F)(F)F

HCID54714075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44ac790043464d1a94571a084fcd5324
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:49]([BH3-:50])#[N:51].[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[CH3:43][C:44]([CH3:45])([OH:46])[C:47]#[N:48].[CH3:53][C:54](=[O:55])[OH:56].[CH3:57][C:58]#[N:59].[Cl:60][CH2:61][Cl:62].[F:30][C:31]([c:32]1[c:33]([C:34]([Cl:35])=[O:36])[cH:37][cH:38][cH:39][cH:40]1)([F:41])[F:42].[Na+:52].[OH:1][C:2]1=[CH:3][C:4](=[O:22])[O:5][C:6]([CH2:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:7]1>>[OH:1][C:2]1=[C:3]([CH2:34][c:33]2[c:32]([C:31]([F:30])([F:41])[F:42])[cH:40][cH:39][cH:38][cH:37]2)[C:4](=[O:22])[O:5][C:6]([CH2:8][CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[CH2:7]1