Water → 4-[5-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]-N-(1,3-thiazol-2-yl)benzamide

HRID 207569

Reaction equation

HRID 207569 reaction equation
[CH:1](=[O:2])[c:3]1[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[s:11][cH:12][cH:13][n:14]2)[cH:15][cH:16]1.[F:17][c:18]1[c:19]([C:25]([CH2:26][n:27]2[n:28][cH:29][n:30][cH:31]2)([CH:32]([CH3:33])[S:34][CH:35]([CH2:36][OH:37])[CH2:38][OH:39])[OH:40])[cH:20][cH:21][c:22]([F:24])[cH:23]1.[OH2:41].[c:42]1([CH3:43])[cH:44][cH:45][c:46]([S:47]([OH:48])(=[O:49])=[O:50])[cH:51][cH:52]1>>[CH:1]1([c:3]2[cH:4][cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]3[s:11][cH:12][cH:13][n:14]3)[cH:15][cH:16]2)[O:2][CH2:38][CH:35]([S:34][CH:32]([C:25]([c:19]2[c:18]([F:17])[cH:23][c:22]([F:24])[cH:21][cH:20]2)([CH2:26][n:27]2[n:28][cH:29][n:30][cH:31]2)[OH:40])[CH3:33])[CH2:36][O:37]1

Participants

5

Reactant 4

HCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 149523114-formyl-N-(2-thiazolyl)benzamideHCID 187663962-[3-(2,4-Difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanylpropane-1,3-diol

Product 1

HCID 187663764-[5-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]-N-(1,3-thiazol-2-yl)benzamide

Sources & evidence

ORD record
ord-2272e734951d4a6c821c0d20677532e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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