Toluene → 2-(4-Methyl-1-piperazinyl)-5-nitrobenzoxazole

HRID 683314Notes

Reaction equation

HRID 683314 reaction equation
[CH3:20][N:21]1[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]1.[CH3:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1.[Cl:1][P:2]([Cl:3])([Cl:4])([Cl:5])[Cl:6].[SH:7][c:8]1[o:9][c:10]2[c:11]([n:12]1)[cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2>>[c:8]1([N:24]2[CH2:23][CH2:22][N:21]([CH3:20])[CH2:26][CH2:25]2)[o:9][c:10]2[c:11]([n:12]1)[cH:13][c:14]([N+:17](=[O:18])[O-:19])[cH:15][cH:16]2

Participants

5

Reactant 4

HCID 1140TolueneHCID 24819Phosphorus pentachlorideHCID 531671-MethylpiperazineHCID 178526504HCID 178526504, compound

Product 1

HCID 225581882-(4-Methyl-1-piperazinyl)-5-nitrobenzoxazole

Sources & evidence

ORD record
ord-060ee4d35494428281e7991a54cc5d35
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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