HRID157358

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID6422

Trifluoroacetic acid

C2HF3O2

HCID8471

Triethylamine

C6H15N

HCID724838

4-tert-Butylcinnamic acid

C13H16O2

HCID68456261

未命名化合物

PRODUCTS

产物

HCID68456097

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8e5ea3ed26454f809bb0a0e9a086cdc0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

[C:26]([CH3:27])([CH3:28])([CH3:29])[c:30]1[cH:31][cH:32][c:33]([CH:36]=[CH:37][C:38](=[O:39])[OH:40])[cH:34][cH:35]1.[CH2:41]([Cl:42])[Cl:43].[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][c:8]([O:16][CH3:17])[c:9]([CH2:10][NH2:11])[cH:12][c:13]1[CH:14]=[CH2:15].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[ClH:18].[OH:19][C:20]([C:21]([F:22])([F:23])[F:24])=[O:25]>>[CH3:1][S:2](=[O:3])(=[O:4])[NH:5][c:6]1[cH:7][c:8]([O:16][CH3:17])[c:9]([CH2:10][NH:11][C:38]([CH:37]=[CH:36][c:33]2[cH:32][cH:31][c:30]([C:26]([CH3:27])([CH3:28])[CH3:29])[cH:35][cH:34]2)=[O:39])[cH:12][c:13]1[CH:14]=[CH2:15]