1-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazole → 2-(2,4-Difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]sulfanyl]butan-2-ol

HRID 188423

반응식

HRID 188423 반응식
[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

참가 물질

3

반응물 2

HCID 147064491-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazoleHCID 54388456HCID 54388456, 화합물

생성물 1

HCID 540596792-(2,4-Difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-1,3-dioxan-5-yl]sulfanyl]butan-2-ol

출처 및 근거

ORD 기록
ord-d5869c2466224eddb336f06fa4acba73
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

연결된 노트

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