HRID1124847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID2146069

1-(5-Trifluoromethyl-[1,3,4]thiadiazol-2-yl)-piperazine

C7H9F3N4S

HCID21100319

5-(Methanesulfonyl)-2-(morpholin-4-yl)benzoic acid

C12H15NO5S

PRODUCTS

生成物

结构：CS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N2CCN(c3nnc(C(F)(F)F)s3)CC2)c1

HCID11605837

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a9167dbb117413e9c53eedeee8b6f33
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

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