Hydrochloric Acid → 3-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxy-2-oxo-1,3-benzoxazole-6-carboximidamide

HRID 688787Notes

Reaction equation

HRID 688787 reaction equation
[CH3:34][CH2:35][OH:36].[Cl:1][c:2]1[c:3]([O:29][CH3:30])[cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14]([CH2:15][n:16]3[c:17](=[O:27])[o:18][c:19]4[c:20]3[cH:21][cH:22][c:23]([C:25]#[N:26])[cH:24]4)=[O:28])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[ClH:33].[NH2:31][OH:32]>>[Cl:1][c:2]1[c:3]([O:29][CH3:30])[cH:4][c:5]([N:8]2[CH2:9][CH2:10][N:11]([C:14]([CH2:15][n:16]3[c:17](=[O:27])[o:18][c:19]4[c:20]3[cH:21][cH:22][c:23]([C:25](=[NH:26])[NH:31][OH:32])[cH:24]4)=[O:28])[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 702EthanolHCID 787HydroxylamineHCID 588343553-{2-[4-(4-Chloro-3-methoxy-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-2-oxo-2,3-dihydro-benzooxazole-6-carbonitrile

Product 1

HCID 1784930233-[2-[4-(4-chloro-3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-N'-hydroxy-2-oxo-1,3-benzoxazole-6-carboximidamide

Sources & evidence

ORD record
ord-402a74e02b11486890e583fcf39a0813
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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