HRID161951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

3 次

HCID6342

Acetonitrile

C2H3N

HCID28486

Lithium ion

Li+

HCID123351

Perchlorate

ClO4-

HCID14435576

2-(Piperidin-3-yl)pyridine

C10H14N2

HCID14706449

1-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazole

C12H11F2N3O

PRODUCTS

生成物

结构：CC(N1CCCC(c2ccccn2)C1)C(O)(Cn1cncn1)c1ccc(F)cc1F

HCID178462540

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47150badd7954ceca61f373078368fda
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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