HRID2326921

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID68510

2,6-Di-tert-butylpyridine

C13H21N

HCID2775125

3,3,3-Trifluoro-2-hydroxy-2-methylpropanoic acid

C4H5F3O3

HCID22621282

未命名化合物

PRODUCTS

生成物

结构：CC(O)(C(=O)Nc1ccc(Sc2ccccc2)cc1Br)C(F)(F)F

HCID22621241

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e502b74f24e40178a2ffb59d0c5c71e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:17][c:18]1[c:19]([NH2:20])[cH:21][cH:22][c:23]([S:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:24]1.[C:32]([c:33]1[cH:34][cH:35][cH:36][c:37]([C:38]([CH3:39])([CH3:40])[CH3:41])[n:42]1)([CH3:43])([CH3:44])[CH3:45].[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6].[Cl:46][CH2:47][Cl:48].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH:7][C:8]([C:9](=[O:10])[OH:11])([C:12]([F:13])([F:14])[F:15])[CH3:16]>>[OH:7][C:8]([C:9](=[O:10])[NH:20][c:19]1[c:18]([Br:17])[cH:24][c:23]([S:25][c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[cH:22][cH:21]1)([C:12]([F:13])([F:14])[F:15])[CH3:16]