Hydrochloric Acid → Hydrochloric Acid

HRID 1559710Notes

Reaction equation

HRID 1559710 reaction equation
[CH3:1][c:2]1[c:3]([N+:24](=[O:25])[O-:26])[cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH:13]3[CH2:14][N:15]([C:17]([O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23])[CH2:16]3)[n:12]2)[cH:6][cH:7]1.[CH3:28][C:29]#[N:30].[ClH:27].[O:31]1[CH2:32][CH2:33][O:34][CH2:35][CH2:36]1>>[CH3:1][c:2]1[c:3]([N+:24](=[O:25])[O-:26])[cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH:13]3[CH2:14][NH:15][CH2:16]3)[n:12]2)[cH:6][cH:7]1.[ClH:27]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 312751,4-DioxaneHCID 71281251HCID 71281251, compound

Product 2

HCID 313Hydrochloric AcidHCID 712814225-(Azetidin-3-yl)-3-(4-methyl-3-nitrophenyl)-1,2,4-oxadiazole

Sources & evidence

ORD record
ord-2c56ec08cc5644b6ad0b37f0a8734a3f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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