HRID183308

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID57351277

5-[3-Fluoro-4-(methanesulfonyl)phenyl]-4-methyl-1,3-thiazol-2-amine

C11H11FN2O2S2

HCID57466836

未命名化合物

PRODUCTS

生成物

结构：CCCn1cnc(CCNC(=O)Nc2nc(C)c(-c3ccc(S(C)(=O)=O)c(F)c3)s2)c1

HCID57466847

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52e4af7f86fb4a6a8290c71029bf5b35
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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