HRID2123872

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID13714353

4-(Trifluoromethyl)cyclohexan-1-amine

C7H12F3N

HCID66765190

未命名化合物

PRODUCTS

生成物

结构：Nc1nc(OCCO)c(C(=O)NC2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-]

HCID68161995

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-314d5e7f7d514bcfbda5369cc13ae9d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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