HRID188423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID14706449

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

C12H11F2N3O

结构：CC(=O)SC1COC(C=Cc2ccc(C(F)(F)F)cc2)OC1

HCID54388456

未命名化合物

PRODUCTS

生成物

结构：CC(SC1COC(C=Cc2ccc(C(F)(F)F)cc2)OC1)C(O)(Cn1cncn1)c1ccc(F)cc1F

HCID54059679

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5869c2466224eddb336f06fa4acba73
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

[C:19](=[O:20])([CH3:21])[S:22][CH:23]1[CH2:24][O:25][CH:26]([CH:29]=[CH:30][c:31]2[cH:32][cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]2)[O:27][CH2:28]1.[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>>[F:1][c:2]1[c:3]([C:9]([OH:10])([CH:11]([CH3:12])[S:22][CH:23]2[CH2:24][O:25][CH:26]([CH:29]=[CH:30][c:31]3[cH:32][cH:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]3)[O:27][CH2:28]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