2-[3-(2,4-Difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanylpropane-1,3-diol → 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 91099

반응식

HRID 91099 반응식
[F:1][c:2]1[c:3]([C:9]([CH2:10][n:11]2[n:12][cH:13][n:14][cH:15]2)([CH:16]([CH3:17])[S:18][CH:19]([CH2:20][OH:21])[CH2:22][OH:23])[OH:24])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[F:25][C:26]([c:27]1[cH:28][cH:29][c:30]([CH:31]=[CH:32][CH:33]=[O:34])[cH:35][cH:36]1)([F:37])[F:38]>>[F:1][c:2]1[c:3]([C:9]([CH2:10][n:11]2[n:12][cH:13][n:14][cH:15]2)([CH:16]([CH3:17])[S:18][CH:19]2[CH2:20][O:21][CH:33]([CH:32]=[CH:31][c:30]3[cH:29][cH:28][c:27]([C:26]([F:25])([F:37])[F:38])[cH:36][cH:35]3)[O:23][CH2:22]2)[OH:24])[cH:4][cH:5][c:6]([F:8])[cH:7]1

참가 물질

3

반응물 2

HCID 187663962-[3-(2,4-Difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanylpropane-1,3-diolHCID 533951204-Trifluoromethylcinnamaldehyde

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-489e00996973403cb0d959f2d9223c28
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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