HRID184546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID69460

1,2,3,4-Tetrahydroquinoline

C9H11N

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID11435243

2-chloro-5-fluoronicotinic acid

C6H3ClFNO2

PRODUCTS

生成物

HCID86641254

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dc1a0d72c22b44569e62f915f7511ab2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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