HRID181857

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID13714353

4-(Trifluoromethyl)cyclohexan-1-amine

C7H12F3N

结构：CNc1nc(N2CCC(C(F)(F)F)CC2)c(C(=O)O)cc1[N+](=O)[O-]

HCID67958409

未命名化合物

PRODUCTS

生成物

结构：CNc1nc(N2CCC(C(F)(F)F)CC2)c(C(=O)NC2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-]

HCID86674499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88ee9a1549c144a4973dd07553d041a7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[B-:25]([F:26])([F:27])([F:28])[F:29].[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:1][NH:2][c:3]1[n:4][c:5]([N:15]2[CH2:16][CH2:17][CH:18]([C:21]([F:22])([F:23])[F:24])[CH2:19][CH2:20]2)[c:6]([C:7](=[O:8])[OH:9])[cH:10][c:11]1[N+:12](=[O:13])[O-:14].[F:52][C:53]([CH:54]1[CH2:55][CH2:56][CH:57]([NH2:60])[CH2:58][CH2:59]1)([F:61])[F:62].[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[OH2:63].[n:30]1([O:31][C:32]([N:33]([CH3:34])[CH3:35])=[N+:36]([CH3:37])[CH3:38])[c:39]2[cH:40][cH:41][cH:42][cH:43][c:44]2[n:45][n:46]1>>[CH3:1][NH:2][c:3]1[n:4][c:5]([N:15]2[CH2:16][CH2:17][CH:18]([C:21]([F:22])([F:23])[F:24])[CH2:19][CH2:20]2)[c:6]([C:7](=[O:9])[NH:60][CH:57]2[CH2:56][CH2:55][CH:54]([C:53]([F:52])([F:61])[F:62])[CH2:59][CH2:58]2)[cH:10][c:11]1[N+:12](=[O:13])[O-:14]