HRID1123809

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

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID30165

Iodide ion

I-

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID59184650

未命名化合物

结构：Cc1cc(C=CC#N)cc(Oc2[nH]c(=O)[nH]c(=O)c2C(C)C)c1

HCID66705331

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNc2cc(Cn3c(Oc4cc(C)cc(C=CC#N)c4)c(C(C)C)c(=O)[nH]c3=O)cc(F)n2)cc1

HCID66705452

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d31ca430198d4d9d9ddeb8916f891482
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:55](=[O:56])([O-:57])[O-:58].[CH3:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26].[CH3:27][S:28](=[O:29])(=[O:30])[Cl:31].[CH:32]([CH3:33])([CH3:34])[c:35]1[c:36]([O:43][c:44]2[cH:45][c:46]([CH:51]=[CH:52][C:53]#[N:54])[cH:47][c:48]([CH3:50])[cH:49]2)[nH:37][c:38](=[O:42])[nH:39][c:40]1=[O:41].[CH:63]([Cl:64])([Cl:65])[Cl:66].[Cl:67][CH2:68][Cl:69].[F:1][c:2]1[n:3][c:4]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[cH:5][c:6]([CH2:8][OH:9])[cH:7]1.[I-:61].[K+:59].[K+:60].[Li+:62].[O:70]=[CH:71][N:72]([CH3:73])[CH3:74]>>[F:1][c:2]1[n:3][c:4]([NH:10][CH2:11][c:12]2[cH:13][cH:14][c:15]([O:18][CH3:19])[cH:16][cH:17]2)[cH:5][c:6]([CH2:8][n:37]2[c:36]([O:43][c:44]3[cH:45][c:46]([CH:51]=[CH:52][C:53]#[N:54])[cH:47][c:48]([CH3:50])[cH:49]3)[c:35]([CH:32]([CH3:33])[CH3:34])[c:40](=[O:41])[nH:39][c:38]2=[O:42])[cH:7]1