Ethylene Glycol → 3-Amino-5-(1-(3-(2-phenyl-1,3-dioxolan-2-yl)phenyl)ethyl)-1,2,4-oxadiazole

HRID 94451Notes

Reaction equation

HRID 94451 reaction equation
[CH2:23]([CH2:24][OH:25])[OH:26].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[NH2:1][c:2]1[n:3][o:4][c:5]([CH:7]([CH3:8])[c:9]2[cH:10][c:11]([C:15]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)=[O:22])[cH:12][cH:13][cH:14]2)[n:6]1.[OH2:27].[c:28]1([CH3:29])[cH:30][cH:31][c:32]([S:33]([OH:34])(=[O:35])=[O:36])[cH:37][cH:38]1>>[NH2:1][c:2]1[n:3][o:4][c:5]([CH:7]([CH3:8])[c:9]2[cH:10][c:11]([C:15]3([c:16]4[cH:17][cH:18][cH:19][cH:20][cH:21]4)[O:22][CH2:23][CH2:24][O:25]3)[cH:12][cH:13][cH:14]2)[n:6]1

Participants

6

Reactant 5

HCID 174Ethylene GlycolHCID 962WaterHCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 156760943-Amino-5-(1-(3-benzoylphenyl)ethyl)-1,2,4-oxadiazole

Product 1

HCID 156760963-Amino-5-(1-(3-(2-phenyl-1,3-dioxolan-2-yl)phenyl)ethyl)-1,2,4-oxadiazole

Sources & evidence

ORD record
ord-1c0175492c4e4535916c7da33450c77d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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