HRID2125333

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-d699293d7a4448c884fb4a085cf8c233
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:42]([BH3-:43])#[N:44].[CH3:36][C:37]([CH3:38])([OH:39])[C:40]#[N:41].[CH3:46][C:47](=[O:48])[OH:49].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH3:57][C:58]#[N:59].[Cl:60][CH2:61][Cl:62].[F:23][C:24]([c:25]1[c:26]([C:27]([Cl:28])=[O:29])[cH:30][cH:31][cH:32][cH:33]1)([F:34])[F:35].[Na+:45].[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]([CH2:27][c:26]2[c:25]([C:24]([F:23])([F:34])[F:35])[cH:33][cH:32][cH:31][cH:30]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