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

HRID 1206600Notes

Reaction equation

HRID 1206600 reaction equation
[CH3:37][OH: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:22]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[O:23][CH2:24]2)[OH:31])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Na+:36].[O-:32][C:33]([OH:34])=[O:35]>>[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])[CH2:24][OH:23])[OH:31])[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

5

Reactant 4

HCID 769Bicarbonate IonHCID 887MethanolHCID 923Sodium ionHCID 183632612-(2,4-Difluorophenyl)-3-[(2-phenyl-1,3-dioxan-5-yl)sulfanyl]-1-(1,2,4-triazol-1-yl)butan-2-ol

Product 1

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

Sources & evidence

ORD record
ord-72ecd5e66e3647ecb7f09da2ba9507aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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