HRID100044

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID923

Sodium ion

Na+

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID8300

2-Methoxyprop-1-ene

C4H8O

HCID2724942

未命名化合物

HCID67270313

未命名化合物

PRODUCTS

产物

HCID67271784

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8e54f9e4713f475b84f5f0d5023490db
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

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