Water → 4-[4-[5-[3-(2,5-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]sulfanyl-1,3-dioxan-2-yl]buta-1,3-dienyl]-3-fluorobenzonitrile
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][c:5]([F:8])[cH:6][cH:7]1.[F:25][c:26]1[cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32][c:33]1[CH:34]=[CH:35][CH:36]=[CH:37][CH:38]=[O:39].[OH2:40].[c:41]1([CH3:42])[cH:43][cH:44][c:45]([S:46]([OH:47])(=[O:48])=[O:49])[cH:50][cH:51]1>>[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:38]([CH:37]=[CH:36][CH:35]=[CH:34][c:33]3[c:26]([F:25])[cH:27][c:28]([C:29]#[N:30])[cH:31][cH:32]3)[O:23][CH2:22]2)[OH:24])[cH:4][c:5]([F:8])[cH:6][cH:7]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-e2e6ee80ca94418384346d5aad1c1a6f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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