HRID667927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID107211

Butanoic acid, 2-hydroxy-3,3-dimethyl-

C6H12O3

结构：CC(C)(C)OC(=O)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1

HCID59001784

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(O)C(=O)N1CC(c2cc(F)ccc2F)=CC1c1ccccc1

HCID178447161

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39b04ad392274244bc9ce40f3ea20d0e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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