HRID296267

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7237

o-Xylene

C8H10

HCID8857

Ethyl acetate

C4H8O2

HCID74264

Methyl 2-pyridylacetate

C8H9NO2

结构：Nc1cccnc1SCCS(=O)(=O)c1cccc(C(F)(F)F)c1

HCID67133713

未命名化合物

PRODUCTS

生成物

结构：O=C(Cc1ccccn1)Nc1cccnc1SCCS(=O)(=O)c1cccc(C(F)(F)F)c1

HCID46917948

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b07c5467b31f464f81289a333ddf08fb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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