HRID296142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10962

1-Iodobutane

C4H9I

HCID166653

Hydride

H-

结构：CC(=O)N(CCCN=[N+]=[N-])c1ccc(-c2cc(=O)c3c(N)c(F)cc(F)c3o2)cc1F

HCID19434920

未命名化合物

PRODUCTS

生成物

结构：CCCCNc1c(F)cc(F)c2oc(-c3ccc(N(CCCN=[N+]=[N-])C(C)=O)c(F)c3)cc(=O)c12

HCID19434935

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c5889e37e32c421886b2641724b7f96c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[C:1]([CH3:2])(=[O:3])[N:4]([CH2:5][CH2:6][CH2:7][N:8]=[N+:9]=[N-:10])[c:11]1[c:12]([F:31])[cH:13][c:14](-[c:17]2[o:18][c:19]3[c:20]([c:21](=[O:23])[cH:22]2)[c:24]([NH2:30])[c:25]([F:29])[cH:26][c:27]3[F:28])[cH:15][cH:16]1.[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[Cl-:39].[H-:37].[I:32][CH2:33][CH2:34][CH2:35][CH3:36].[NH4+:40].[Na+:38]>>[C:1]([CH3:2])(=[O:3])[N:4]([CH2:5][CH2:6][CH2:7][N:8]=[N+:9]=[N-:10])[c:11]1[c:12]([F:31])[cH:13][c:14](-[c:17]2[o:18][c:19]3[c:20]([c:21](=[O:23])[cH:22]2)[c:24]([NH:30][CH2:33][CH2:34][CH2:35][CH3:36])[c:25]([F:29])[cH:26][c:27]3[F:28])[cH:15][cH:16]1