HRID1551780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID297

Methane

CH4

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID3283

Diethyl Ether

C4H10O

HCID23938

Palladium

结构：CCOC(=O)c1c(N(Cc2c(F)cccc2F)C(=O)OCC)sc(-c2ccc([N+](=O)[O-])cc2)c1CN(C)CCOC

HCID18324796

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(N(Cc2c(F)cccc2F)C(=O)OCC)sc(-c2ccc(N)cc2)c1CN(C)CCOC

HCID53388810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f3ccc62790b46b18b029625666e879a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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