HRID693384

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-

HCID11492019

未命名化合物

HCID14706449

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

C12H11F2N3O

PRODUCTS

生成物

结构：Cc1ccc(C2=CCN(C(C)C(O)(Cn3cncn3)c3ccc(F)cc3F)CC2)nc1

HCID178423819

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e10b7ee734ef434884239b1cdbf55325
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:19][c:20]1[cH:21][cH:22][c:23]([C:26]2=[CH:31][CH2:30][NH:29][CH2:28][CH2:27]2)[n:24][cH:25]1.[CH3:41][C:42]#[N:43].[Cl+3:35]([O-:36])([O-:37])([O-:38])[O-:39].[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+:40].[OH2:32].[OH2:33].[OH2:34]>>[F:1][c:2]1[c:3]([C:9]([OH:10])([CH:11]([CH3:12])[N:29]2[CH2:28][CH2:27][C:26]([c:23]3[cH:22][cH:21][c:20]([CH3:19])[cH:25][n:24]3)=[CH:31][CH2:30]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