HRID2155109

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6212

Chloroform

CHCl3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID30165

Iodide ion

I-

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：Cc1cc(Cl)cc(C(=O)c2[nH]c(=O)[nH]c(=O)c2C(C)C)c1

HCID21303237

未命名化合物

HCID59184676

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Cl)cc(C(=O)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2cc(F)nc(F)c2)c1

HCID59184867

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27c9b9b08dc24368810510b59a449b7a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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