HRID304252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

2 次

HCID28486

Lithium ion

Li+

HCID3280088

未命名化合物

HCID6816376

Ethyl chlorooximinoacetate

C4H6ClNO3

结构：Cc1cccc(C)c1-n1cc(CC(=O)c2ccc(F)cc2F)ccc1=O

HCID67253283

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=NO)C(C(=O)c1ccc(F)cc1F)c1ccc(=O)n(-c2c(C)cccc2C)c1

HCID173056870

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb66608c706b464caef4167322c81f89
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]([CH3:43])[O:44][C:45]([C:46](=[N:47][OH:48])[Cl:49])=[O:50].[CH3:32][Si:33]([N-:34][Si:35]([CH3:36])([CH3:37])[CH3:38])([CH3:39])[CH3:40].[ClH:51].[F:1][c:2]1[c:3]([C:9]([CH2:10][c:11]2[cH:12][cH:13][c:14](=[O:25])[n:15](-[c:17]3[c:18]([CH3:24])[cH:19][cH:20][cH:21][c:22]3[CH3:23])[cH:16]2)=[O:26])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Li+:41].[O:27]1[CH2:28][CH2:29][CH2:30][CH2:31]1.[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[F:1][c:2]1[c:3]([C:9]([CH:10]([c:11]2[cH:12][cH:13][c:14](=[O:25])[n:15](-[c:17]3[c:18]([CH3:24])[cH:19][cH:20][cH:21][c:22]3[CH3:23])[cH:16]2)[C:46]([C:45]([O:44][CH2:42][CH3:43])=[O:50])=[N:47][OH:48])=[O:26])[cH:4][cH:5][c:6]([F:8])[cH:7]1