HRID109516

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+

HCID16795996

未命名化合物

HCID67320755

1-Cyclopropyl-1,2,3,4-tetrahydroquinoxaline

C11H14N2

PRODUCTS

生成物

结构：O=C(c1cccnc1Oc1cc(Cl)ccc1Cl)N1CCN(C2CC2)c2ccccc21

HCID59294521

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c9d9111ea05471a80994383a150f140
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH2:19]([N:20]([CH:21]([CH3:22])[CH3:23])[CH:24]([CH3:25])[CH3:26])[CH3:27].[CH:52]1([N:55]2[CH2:56][CH2:57][NH:58][c:59]3[cH:60][cH:61][cH:62][cH:63][c:64]32)[CH2:53][CH2:54]1.[Cl:1][c:2]1[c:3]([O:4][c:5]2[c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11][cH:12][n:13]2)[cH:14][c:15]([Cl:18])[cH:16][cH:17]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[P-:28]([F:29])([F:30])([F:31])([F:32])([F:33])[F:34].[n:35]1([O:36][C:37]([N:38]([CH3:39])[CH3:40])=[N+:41]([CH3:42])[CH3:43])[c:44]2[n:45][cH:46][cH:47][cH:48][c:49]2[n:50][n:51]1>>[Cl:1][c:2]1[c:3]([O:4][c:5]2[c:6]([C:7](=[O:9])[N:58]3[CH2:57][CH2:56][N:55]([CH:52]4[CH2:53][CH2:54]4)[c:64]4[c:59]3[cH:60][cH:61][cH:62][cH:63]4)[cH:10][cH:11][cH:12][n:13]2)[cH:14][c:15]([Cl:18])[cH:16][cH:17]1