HRID301273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID114942

Titanium(4+)

Ti+4

HCID119440

1-Hydroxyethyl radical

C2H5O-

4 次

HCID3382465

未命名化合物

HCID57974028

Methyl 3,5-difluoro-α,α-dimethyl-δ-oxobenzenepentanoate

C14H16F2O3

HCID57974098

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(C)(C)CCC(=NS(=O)C(C)(C)C)c1cc(F)cc(F)c1

HCID76678917

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-18f6a3b29d084fe2b7bc324f93b871cd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:20][O:21][N:22]([CH3:23])[C:24](=[O:25])[CH2:26][CH2:27][C:28]([CH3:29])([CH3:30])[C:31]([O:32][CH3:33])=[O:34].[CH3:35][C:36]([CH3:37])([CH3:38])[S:39](=[O:40])[NH2:41].[CH3:47][CH2:48][O-:49].[CH3:50][CH2:51][O-:52].[CH3:53][CH2:54][O-:55].[CH3:56][CH2:57][O-:58].[F:1][c:2]1[cH:3][c:4]([C:9]([CH2:10][CH2:11][C:12]([C:13](=[O:14])[O:15][CH3:16])([CH3:17])[CH3:18])=[O:19])[cH:5][c:6]([F:8])[cH:7]1.[Ti+4:59]>>[F:1][c:2]1[cH:3][c:4]([C:9]([CH2:10][CH2:11][C:12]([C:13](=[O:14])[O:15][CH3:16])([CH3:17])[CH3:18])=[N:41][S:39]([C:36]([CH3:35])([CH3:37])[CH3:38])=[O:40])[cH:5][c:6]([F:8])[cH:7]1