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-[6-[4-(trifluoromethyl)phenyl]hexa-1,3,5-trienyl]-1,3-dioxan-5-yl]sulfanyl]butan-2-ol

HRID 675748

Reaction equation

HRID 675748 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)([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:33]=[CH:34][CH:35]=[CH:36][CH:37]=[CH:38][CH:39]=[O:40])[cH:31][cH:32]1)([F:41])[F:42]>>[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:39]([CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=[CH:33][c:30]3[cH:29][cH:28][c:27]([C:26]([F:25])([F:41])[F:42])[cH:32][cH:31]3)[O:23][CH2:22]2)[OH:24])[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

3

Reactant 2

HCID 187663962-[3-(2,4-Difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanylpropane-1,3-diolHCID 542483047-[4-(Trifluoromethyl)phenyl]hepta-2,4,6-trienal

Product 1

HCID 540445882-(2,4-Difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[[2-[6-[4-(trifluoromethyl)phenyl]hexa-1,3,5-trienyl]-1,3-dioxan-5-yl]sulfanyl]butan-2-ol

Sources & evidence

ORD record
ord-3c70b47129064f908de91bd9d929e37c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Linked notes

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