HRID1542922

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID887

Methanol

CH4O

HCID6344

Dichloromethane

CH2Cl2

HCID721837

5-[3-(trifluoromethyl)phenyl]-2-furaldehyde

C12H7F3O2

HCID59446225

未命名化合物

PRODUCTS

生成物

结构：O=C(O)C1CCCC(N2C(=O)C(=Cc3ccc(-c4cccc(C(F)(F)F)c4)o3)SC2=S)C1

HCID86644297

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-02087cec81484f1a9a19ded2902cf86a
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

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