HRID126297

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7841

Allyl bromide

C3H5Br

HCID19660

Carbonate

CO3-2

结构：CS(=O)(=O)c1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(F)cc2)cc1

HCID15380222

未命名化合物

结构：C=CCn1nc(C(F)(F)F)c(-c2ccc(F)cc2)c1-c1ccc(S(C)(=O)=O)cc1

HCID19355906

未命名化合物

PRODUCTS

生成物

结构：C=CCn1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1C(F)(F)F

HCID9954100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c3858e0ea00c404e8bef35371e4b8ad2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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