HRID2311059

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID81531

Diisopropylethylamine

C8H19N

HCID3034184

4-Azidobenzoic acid

C7H5N3O2

HCID22175009

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CCNC(=O)c2ccc(N=[N+]=[N-])cc2)c(F)c1

HCID22250959

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e69ab9198d194bbea74cbc66143bc90c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:13]([Cl:14])[CH2:15][Cl:16].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:43][N:44]([c:45]1[cH:46][cH:47][n:48][cH:49][cH:50]1)[CH3:51].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH:17]([N:18]([CH2:19][CH3:20])[CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[F:26][c:27]1[c:28]([CH2:35][CH2:36][NH2:37])[cH:29][cH:30][c:31]([O:33][CH3:34])[cH:32]1.[N:1](=[N+:2]=[N-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:9])[OH:10])[cH:11][cH:12]1>>[N:1](=[N+:2]=[N-:3])[c:4]1[cH:5][cH:6][c:7]([C:8](=[O:10])[NH:37][CH2:36][CH2:35][c:28]2[c:27]([F:26])[cH:32][c:31]([O:33][CH3:34])[cH:30][cH:29]2)[cH:11][cH:12]1