HRID1115620

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

HCID498716

未命名化合物

HCID21222585

2-(Propan-2-yl)benzoyl chloride

C10H11ClO

HCID54680410

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1ccccc1CC1=C(O)CC(c2ccccc2)(c2ccccc2)OC1=O

HCID54721635

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74fbd36c26b3454896b1428499484609
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:46]([BH3-:47])#[N:48].[CH3:21][CH2:22][N:23]([CH2:24][CH3:25])[CH2:26][CH3:27].[CH3:40][C:41]([CH3:42])([OH:43])[C:44]#[N:45].[CH3:50][C:51](=[O:52])[OH:53].[CH3:54][C:55]#[N:56].[CH:28]([CH3:29])([CH3:30])[c:31]1[c:32]([C:33]([Cl:34])=[O:35])[cH:36][cH:37][cH:38][cH:39]1.[Cl:57][CH2:58][Cl:59].[Na+:49].[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]([CH2:33][c:32]2[c:31]([CH:28]([CH3:29])[CH3:30])[cH:39][cH:38][cH:37][cH:36]2)[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