HRID1543917

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID24386

Thionyl chloride

Cl2OS

结构：Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(=O)(=O)O)c3)n2)n1

HCID16747649

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(-c3cccc(S(=O)(=O)Cl)c3)n2)n1

HCID86615450

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2a33a9c1d9464343ba58b5089c3b09b2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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