HRID189384

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

HCID69110

Benzoyl chloride, 2-chloro-

C7H4Cl2O

HCID498716

未命名化合物

HCID54680410

未命名化合物

PRODUCTS

生成物

结构：O=C1OC(c2ccccc2)(c2ccccc2)CC(O)=C1Cc1ccccc1Cl

HCID54721689

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7220985095e8432c991cdf66a10f26a5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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