HRID145545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID141226

2-Butenoic acid, 4,4,4-trifluoro-, ethyl ester

C6H7F3O2

HCID3772545

5-chloro-2-hydroxy-3-iodobenzaldehyde

C7H4ClIO2

PRODUCTS

生成物

结构：CCOC(=O)C1=Cc2cc(Cl)cc(I)c2OC1C(F)(F)F

HCID21883552

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d29fd08975994059be63632f83e75994
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

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