HRID2152214

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

HCID4641409

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

C10H15N6O+

HCID14783911

6-Fluoro-1,2,3,4-tetrahydroquinoline

C9H10FN

HCID67320261

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cncnc1Oc1cc(Cl)ccc1Cl)N1CCCc2cc(F)ccc21

HCID53311619

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4bc68ec646c04679b68f2643a03b4cd9
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

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