HRID286910

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7052

2,4-Dimethoxybenzoic acid

C9H10O4

HCID9886

Hexafluorophosphate ion

F6P-

2 次

HCID123238

1-Azabicyclo[2.2.2]octan-3-amine

C7H14N2

HCID644041

Methanaminium

CH6N+

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

HCID13272329

N-(1-Azabicyclo[2.2.2]octan-3-yl)-2,4-dimethoxybenzamide

C16H22N2O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d8163a5e4c9640a9820ace97ac4eff6e
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

[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][c:10]([O:12][CH3:13])[cH:11]1.[CH3:25][NH3+:26].[ClH:14].[ClH:15].[NH2:16][CH:17]1[CH2:18][N:19]2[CH2:20][CH2:21][CH:22]1[CH2:23][CH2:24]2.[Na+:59].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64].[OH-:58].[P-:27]([F:28])([F:29])([F:30])([F:31])([F:32])[F:33].[P-:51]([F:52])([F:53])([F:54])([F:55])([F:56])[F:57].[n:34]1([O:35][C:36]([N:37]([CH3:38])[CH3:39])=[N+:40]([CH3:41])[CH3:42])[c:43]2[n:44][cH:45][cH:46][cH:47][c:48]2[n:49][n:50]1>>[CH3:1][O:2][c:3]1[c:4]([C:5](=[O:7])[NH:16][CH:17]2[CH2:18][N:19]3[CH2:20][CH2:21][CH:22]2[CH2:23][CH2:24]3)[cH:8][cH:9][c:10]([O:12][CH3:13])[cH:11]1