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

HRID 2134430Notes

Reaction equation

HRID 2134430 reaction equation
[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7]([c:8]2[cH:9][cH:10][c:11]([CH:14]=[O:15])[cH:12][cH:13]2)=[O:16])[cH:17][cH:18]1.[F:19][c:20]1[c:21]([C:27]([CH2:28][n:29]2[n:30][cH:31][n:32][cH:33]2)([CH:34]([CH3:35])[S:36][CH:37]([CH2:38][OH:39])[CH2:40][OH:41])[OH:42])[cH:22][cH:23][c:24]([F:26])[cH:25]1.[OH2:43].[c:44]1([CH3:45])[cH:46][cH:47][c:48]([S:49]([OH:50])(=[O:51])=[O:52])[cH:53][cH:54]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:6][C:7]([c:8]2[cH:9][cH:10][c:11]([CH:14]3[O:15][CH2:40][CH:37]([S:36][CH:34]([C:27]([c:21]4[c:20]([F:19])[cH:25][c:24]([F:26])[cH:23][cH:22]4)([CH2:28][n:29]4[n:30][cH:31][n:32][cH:33]4)[OH:42])[CH3:35])[CH2:38][O:39]3)[cH:12][cH:13]2)=[O:16])[cH:17][cH:18]1

Participants

5

Reactant 4

HCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 114142744'-Chloro-4-formylbenzanilideHCID 187663962-[3-(2,4-Difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanylpropane-1,3-diol

Product 1

HCID 18766298N-(4-chlorophenyl)-4-[5-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]benzamide

Sources & evidence

ORD record
ord-e0d00f34e486478f9f799484ba647488
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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