Methanol → 3-(4-(3-(3-Chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl)phenoxy)propane-1,2-diol

HRID 306557Notes

Reaction equation

HRID 306557 reaction equation
[CH3:44][OH:45].[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][o:14][c:15](-[c:17]3[cH:18][cH:19][c:20]([O:23][CH2:24][CH:25]4[O:26][C:27]([CH3:30])([CH3:31])[O:28][CH2:29]4)[cH:21][cH:22]3)[n:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11].[OH2:32].[c:33]1([CH3:34])[cH:35][cH:36][c:37]([S:38]([OH:39])(=[O:40])=[O:41])[cH:42][cH:43]1>>[Cl:1][c:2]1[cH:3][c:4](-[c:12]2[n:13][o:14][c:15](-[c:17]3[cH:18][cH:19][c:20]([O:23][CH2:24][CH:25]([OH:26])[CH2:29][OH:28])[cH:21][cH:22]3)[n:16]2)[cH:5][cH:6][c:7]1[O:8][CH:9]([CH3:10])[CH3:11]

Participants

5

Reactant 4

HCID 887MethanolHCID 962WaterHCID 6101p-Toluenesulfonic acidHCID 595565303-(3-Chloro-4-isopropoxyphenyl)-5-(4-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)phenyl)-1,2,4-oxadiazole

Product 1

HCID 498307383-(4-(3-(3-Chloro-4-isopropoxyphenyl)-1,2,4-oxadiazol-5-yl)phenoxy)propane-1,2-diol

Sources & evidence

ORD record
ord-148779cefc604926a4791ebd3daa5280
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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