HRID212562

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID2724942

未命名化合物

HCID14735135

未命名化合物

HCID21875413

4-Amino-2-chloro-3-methylbenzonitrile

C8H7ClN2

PRODUCTS

产物

HCID60066968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7bd84d91f5ec4764bf48743bd1a73ef9
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH:21]=[O:22])[CH:10]([O:13][Si:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:11][CH2:12]1.[C:38]([O:39][BH-:40]([O:41][C:42](=[O:43])[CH3:44])[O:45][C:46](=[O:47])[CH3:48])(=[O:49])[CH3:50].[CH3:34][C:35](=[O:36])[OH:37].[Cl:57][CH2:58][Cl:59].[NH2:23][c:24]1[c:25]([CH3:33])[c:26]([Cl:32])[c:27]([C:28]#[N:29])[cH:30][cH:31]1.[Na+:51].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH:9]([CH2:21][NH:23][c:24]2[c:25]([CH3:33])[c:26]([Cl:32])[c:27]([C:28]#[N:29])[cH:30][cH:31]2)[CH:10]([O:13][Si:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[CH3:20])[CH2:11][CH2:12]1