HRID1141509

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID9971

Benzoic acid, 4-amino-3-fluoro-

C7H6FNO2

HCID81531

Diisopropylethylamine

C8H19N

HCID4120166

1-[1-(4-chlorophenyl)cyclopropyl]methanamine

C10H12ClN

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：Nc1ccc(C(=O)NCC2(c3ccc(Cl)cc3)CC2)cc1F

HCID57732017

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1404e30154664840a4af16b694df0269
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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