HRID291247

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID2735951

4-amino-3-(trifluoromethoxy)benzoic Acid

C8H6F3NO3

HCID2737531

4-Amino-1-methylpiperidine

C6H14N2

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

PRODUCTS

生成物

结构：CN1CCC(NC(=O)c2ccc(N)c(OC(F)(F)F)c2)CC1

HCID58015152

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3aa8dc681324d508fa185047921ad13
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]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[NH2:16][CH:17]1[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]1.[NH2:1][c:2]1[c:3]([O:11][C:12]([F:13])([F:14])[F:15])[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10]1.[O:57]=[CH:58][N:59]([CH3:60])[CH3:61].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[NH2:1][c:2]1[c:3]([O:11][C:12]([F:13])([F:14])[F:15])[cH:4][c:5]([C:6](=[O:8])[NH:16][CH:17]2[CH2:18][CH2:19][N:20]([CH3:23])[CH2:21][CH2:22]2)[cH:9][cH:10]1