HRID1141603

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID166653

Hydride

H-

HCID2737744

5-Amino-2-(trifluoromethyl)pyridine

C6H5F3N2

反应SMILES：O=C(Oc1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1c1ccc(C(F)(F)F)cc1

HCID42635102

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(Nc1ccc(C(F)(F)F)nc1)N1CCc2ccccc2C1c1ccc(C(F)(F)F)cc1

HCID178522060

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1f4d33ef68d94313970a06400fa96ba3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[CH3:47][C:48]#[N:49].[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]2[N:10]([C:19](=[O:20])[O:21][c:22]3[cH:23][cH:24][c:25]([N+:26]([O-:27])=[O:28])[cH:29][cH:30]3)[CH2:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]32)[cH:7][cH:8]1)([F:31])[F:32].[H-:44].[NH2:33][c:34]1[cH:35][n:36][c:37]([C:40]([F:41])([F:42])[F:43])[cH:38][cH:39]1.[Na+:45].[OH2:46]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]([CH:9]2[N:10]([C:19](=[O:20])[NH:33][c:34]3[cH:35][n:36][c:37]([C:40]([F:41])([F:42])[F:43])[cH:38][cH:39]3)[CH2:11][CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][c:18]32)[cH:7][cH:8]1)([F:31])[F:32]