HRID141207

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7918

Acetic anhydride

C4H6O3

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CC(C)COc1c(-c2ccc(S(N)(=O)=O)cc2)cnn(-c2ccc(F)c(F)c2)c1=O

HCID21934147

未命名化合物

PRODUCTS

生成物

结构：CC(=O)NS(=O)(=O)c1ccc(-c2cnn(-c3ccc(F)c(F)c3)c(=O)c2OCC(C)C)cc1

HCID21933995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a26c51bf8f074aaf92cff5bff2df84f5
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

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