HRID302642

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

HCID166653

Hydride

H-

结构：Nc1ccc(-c2c(F)cccc2C(F)(F)F)cc1[N+](=O)[O-]

HCID50994194

未命名化合物

HCID56623207

3-Cyclohexylprop-2-enoyl chloride

C9H13ClO

PRODUCTS

生成物

结构：O=C(C=CC1CCCCC1)Nc1ccc(-c2c(F)cccc2C(F)(F)F)cc1[N+](=O)[O-]

HCID67528005

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a01c0b5b0d9344d29e6cf995484b1aa5
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

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