Toluene → HCID 21298110, compound

HRID 302116Notes

Reaction equation

HRID 302116 reaction equation
[C:17]([CH3:18])([CH3:19])([CH3:20])[c:21]1[n:22][n:23][c:24]([O:26][c:27]2[cH:28][cH:29][c:30]([NH2:33])[cH:31][cH:32]2)[o:25]1.[CH3:1][N:2]1[C:3](=[O:4])[N:5]([CH3:16])[C:6](=[O:7])[CH:8]([C:11]([O:13][CH2:12][CH3:14])=[O:15])[C:9]1=[O:10].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1>>[CH3:1][N:2]1[C:3](=[O:4])[N:5]([CH3:16])[C:6](=[O:7])[CH:8]([C:11](=[O:13])[NH:33][c:30]2[cH:29][cH:28][c:27]([O:26][c:24]3[n:23][n:22][c:21]([C:17]([CH3:18])([CH3:19])[CH3:20])[o:25]3)[cH:32][cH:31]2)[C:9]1=[O:10]

Participants

4

Reactant 3

HCID 1140TolueneHCID 5937141,3-Dimethyl-5-ethoxycarbonylbarbituric acidHCID 212981165-Tert-butyl-2-(4-aminophenoxy)-1,3,4-oxadiazole

Product 1

HCID 21298110HCID 21298110, compound

Sources & evidence

ORD record
ord-7071b19a499442509db9e7bd0efb383f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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