HRID950888

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

HCID7412

Benzoyl chloride

C7H5ClO

HCID8471

Triethylamine

C6H15N

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)=C1Cc1ccccc1

HCID54721581

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-537fc542d56d41a6bee123346baaad5a
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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