HRID2134415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID22273650

未命名化合物

HCID59234010

4-(Methylsulfanyl)-3-(trifluoromethyl)benzaldehyde

C9H7F3OS

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：COc1cnc2c(c1)cc(C(O)c1ccc(SC)c(C(F)(F)F)c1)n2S(=O)(=O)c1ccccc1

HCID67229413

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-813ef9ffae414e10a4bec0148d31baff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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