HRID165878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CC(O)C1COCC(c2cc(F)c(F)c(F)c2)N1C(=O)OCc1ccccc1

HCID77274881

未命名化合物

PRODUCTS

生成物

HCID77274705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02a4febf922645ef99e4ccda1f738233
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[O:18][C:19](=[O:20])[N:21]1[CH:22]([CH:36]([CH3:37])[OH:38])[CH2:23][O:24][CH2:25][CH:26]1[c:27]1[cH:28][c:29]([F:35])[c:30]([F:34])[c:31]([F:33])[cH:32]1.[CH3:1][S:2]([CH3:3])=[O:4].[CH3:39][CH2:40][N:41]([CH2:42][CH3:43])[CH2:44][CH3:45].[CH3:53][CH2:54][O:55][C:56](=[O:57])[CH3:58].[Cl-:51].[Cl:5][C:6]([C:7]([Cl:8])=[O:9])=[O:10].[NH4+:52].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[CH2:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[O:18][C:19](=[O:20])[N:21]1[CH:22]([C:36]([CH3:37])=[O:38])[CH2:23][O:24][CH2:25][CH:26]1[c:27]1[cH:28][c:29]([F:35])[c:30]([F:34])[c:31]([F:33])[cH:32]1