Water → 4-(1,3-Dioxan-2-yl)-3-fluorobenzonitrile

HRID 1134922Notes

Reaction equation

HRID 1134922 reaction equation
[C:1](#[N:2])[c:3]1[cH:4][c:5]([F:11])[c:6]([CH:7]=[O:8])[cH:9][cH:10]1.[CH2:12]([CH2:13][CH2:14][OH:15])[OH:16].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[OH2:17].[OH2:29].[c:18]1([CH3:19])[cH:20][cH:21][c:22]([S:23]([OH:24])(=[O:25])=[O:26])[cH:27][cH:28]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([F:11])[c:6]([CH:7]2[O:8][CH2:12][CH2:13][CH2:14][O:15]2)[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 962Water2×HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 104421,3-PropanediolHCID 27831503-Fluoro-4-formylbenzonitrile

Product 1

HCID 580325814-(1,3-Dioxan-2-yl)-3-fluorobenzonitrile

Sources & evidence

ORD record
ord-53d1908195e244b7a743fa3525e583ea
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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