Hydrochloric Acid → HCID 178436113, compound

HRID 1112819Notes

Reaction equation

HRID 1112819 reaction equation
[CH2:1]([CH3:2])[c:3]1[c:4]([O:5][c:6]2[c:7]([C:12]([CH2:13][CH2:14][CH2:15][CH2:16][O:17][CH3:18])([OH:19])[CH:20]3[CH2:21][N:22]([C:26]([O:27][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[CH2:23][CH2:24][CH2:25]3)[cH:8][cH:9][cH:10][cH:11]2)[cH:33][cH:34][cH:35][cH:36]1.[CH3:39][C:40]#[N:41].[ClH:42].[Na+:38].[OH-:37]>>[CH2:1]([CH3:2])[c:3]1[c:4]([O:5][c:6]2[c:7]([C:12]([CH2:13][CH2:14][CH2:15][CH2:16][O:17][CH3:18])([OH:19])[CH:20]3[CH2:21][NH:22][CH2:23][CH2:24][CH2:25]3)[cH:8][cH:9][cH:10][cH:11]2)[cH:33][cH:34][cH:35][cH:36]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 961HydroxideHCID 6342AcetonitrileHCID 76605235Tert-butyl 3-[1-[2-(2-ethylphenoxy)phenyl]-1-hydroxy-5-methoxypentyl]piperidine-1-carboxylate

Product 1

HCID 178436113HCID 178436113, compound

Sources & evidence

ORD record
ord-be12d3d84fa548b8b94e9a0673ade03a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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