HRID1549108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID33558

Azide

N3-

结构：CC(C)(C)C(=O)Nc1ccc(-c2cc(=O)c3c(NCCCCCl)c(F)cc(F)c3o2)cc1F

HCID19434948

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)Nc1ccc(-c2cc(=O)c3c(NCCCCN=[N+]=[N-])c(F)cc(F)c3o2)cc1F

HCID19434795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0702bd377de543cf8d1bea15d66f4b6b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][NH:6][c:7]1[c:8]([F:33])[cH:9][c:10]([F:32])[c:11]2[c:12]1[c:13](=[O:31])[cH:14][c:15](-[c:17]1[cH:18][c:19]([F:30])[c:20]([NH:23][C:24]([C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[cH:21][cH:22]1)[o:16]2.[N-:35]=[N+:36]=[N-:37].[Na+:34].[OH2:38]>>[CH2:2]([CH2:3][CH2:4][CH2:5][NH:6][c:7]1[c:8]([F:33])[cH:9][c:10]([F:32])[c:11]2[c:12]1[c:13](=[O:31])[cH:14][c:15](-[c:17]1[cH:18][c:19]([F:30])[c:20]([NH:23][C:24]([C:25]([CH3:26])([CH3:27])[CH3:28])=[O:29])[cH:21][cH:22]1)[o:16]2)[N:35]=[N+:36]=[N-:37]