HRID1201753

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

HCID21643

3-Pyridazinamine, 6-chloro-

C4H4ClN3

HCID81531

Diisopropylethylamine

C8H19N

HCID204484

Propylphosphonic acid

C3H9O3P

HCID2777316

3-(Trifluoromethoxy)phenylacetic Acid

C9H7F3O3

PRODUCTS

生成物

结构：O=C(Cc1cccc(OC(F)(F)F)c1)Nc1ccc(Cl)nn1

HCID86687873

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9813236d84ec46cd93be22e99bfa087e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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