Hydrochloric Acid → Hydrochloric Acid

HRID 2312318Notes

Reaction equation

HRID 2312318 reaction equation
[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][CH:7]([CH:8]=[CH:9][CH:10]([CH2:11][c:12]1[cH:13][c:14]([CH3:19])[cH:15][c:16]([CH3:18])[cH:17]1)[OH:20])[NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])=[O:29].[CH3:37][CH2:38][OH:39].[ClH:36].[O:30]1[CH2:31][CH2:32][O:33][CH2:34][CH2:35]1>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][CH2:6][CH:7]([CH:8]=[CH:9][CH:10]([CH2:11][c:12]1[cH:13][c:14]([CH3:19])[cH:15][c:16]([CH3:18])[cH:17]1)[OH:20])[NH2:21])=[O:29].[ClH:36]

Participants

6

Reactant 4

HCID 313Hydrochloric AcidHCID 702EthanolHCID 312751,4-DioxaneHCID 77633706Ethyl 8-(3,5-dimethylphenyl)-7-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]oct-5-enoate

Product 2

HCID 313Hydrochloric AcidHCID 72467031Ethyl 4-amino-8-(3,5-dimethylphenyl)-7-hydroxyoct-5-enoate

Sources & evidence

ORD record
ord-e88a42d423324d37b2fcf736e0a98634
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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