HRID92647

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID21866059

7-Fluoro-1-benzothiophene

C8H5FS

结构：CC(C)(C)OC(=O)N1CCC(C=O)(CC2CCOCC2)C1

HCID58017286

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(CC2CCOCC2)(C(O)c2cc3cccc(F)c3s2)C1

HCID58017222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2c6f50a58924349bab2b22a5a7bce1b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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