HRID310667

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID30165

Iodide ion

I-

HCID66111

Trimethylsilylacetylene

C5H10Si

结构：O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(I)ccc1O

HCID11190699

N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-iodo-benzamide

C15H8F6INO2

PRODUCTS

生成物

结构：C[Si](C)(C)C#Cc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1

HCID10343463

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-655ccfb206b049039e2aef4255ac774c
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

[CH3:26][Si:27]([CH3:28])([CH3:29])[C:30]#[CH:31].[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14]([c:15]2[c:16]([OH:22])[cH:17][cH:18][c:19]([I:21])[cH:20]2)=[O:23])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:24])[F:25].[I-:32].[OH:33][C:34]([CH2:35][C:36]([C:37](=[O:38])[OH:39])([CH2:40][C:41](=[O:42])[OH:43])[OH:44])=[O:45]>>[F:1][C:2]([c:3]1[cH:4][c:5]([NH:13][C:14]([c:15]2[c:16]([OH:22])[cH:17][cH:18][c:19]([C:31]#[C:30][Si:27]([CH3:26])([CH3:28])[CH3:29])[cH:20]2)=[O:23])[cH:6][c:7]([C:9]([F:10])([F:11])[F:12])[cH:8]1)([F:24])[F:25]