HRID1115113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID24386

Thionyl chloride

Cl2OS

HCID31374

Dimethylacetamide

C4H9NO

HCID12371739

4-(1,3-Oxazol-2-yl)aniline

C9H8N2O

HCID59680951

未命名化合物

PRODUCTS

生成物

结构：O=C(CC1(c2ccccc2C(F)(F)F)CCC1)C(=O)Nc1ccc(-c2ncco2)cc1

HCID58897678

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b606c34241054cfebf1b4e7d29fa0369
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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