(RS)-2-(2,4-difluorophenyl)-3-[(1,3-dihydroxy-2-propyl)thio]-3-methyl-1-(1H-1,2,4-triazol-1-yl)-2-butanol → 2-(2,4-Difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)-3-[[2-[4-[4-(trifluoromethyl)phenyl]buta-1,3-dienyl]-1,3-dioxan-5-yl]sulfanyl]butan-2-ol

HRID 307675Notes

Reaction equation

HRID 307675 reaction equation
[F:1][c:2]1[c:3]([C:9]([CH2:10][n:11]2[n:12][cH:13][n:14][cH:15]2)([C:16]([CH3:17])([CH3:18])[S:19][CH:20]([CH2:21][OH:22])[CH2:23][OH:24])[OH:25])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[F:26][C:27]([c:28]1[cH:29][cH:30][c:31]([CH:34]=[CH:35][CH:36]=[CH:37][CH:38]=[O:39])[cH:32][cH:33]1)([F:40])[F:41]>>[F:1][c:2]1[c:3]([C:9]([CH2:10][n:11]2[n:12][cH:13][n:14][cH:15]2)([C:16]([CH3:17])([CH3:18])[S:19][CH:20]2[CH2:21][O:22][CH:38]([CH:37]=[CH:36][CH:35]=[CH:34][c:31]3[cH:30][cH:29][c:28]([C:27]([F:26])([F:40])[F:41])[cH:33][cH:32]3)[O:24][CH2:23]2)[OH:25])[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

3

Reactant 2

HCID 18363338(RS)-2-(2,4-difluorophenyl)-3-[(1,3-dihydroxy-2-propyl)thio]-3-methyl-1-(1H-1,2,4-triazol-1-yl)-2-butanolHCID 542987405-[4-(Trifluoromethyl)phenyl]penta-2,4-dienal

Product 1

HCID 539542722-(2,4-Difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)-3-[[2-[4-[4-(trifluoromethyl)phenyl]buta-1,3-dienyl]-1,3-dioxan-5-yl]sulfanyl]butan-2-ol

Sources & evidence

ORD record
ord-625101bb7fbc47078e67d50a6dcff5fe
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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