Hydrochloric Acid → HCID 178435698, compound

HRID 2314488Notes

Reaction equation

HRID 2314488 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH3:10])[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[CH2:21][CH:22]1[CH:23]([c:37]2[cH:38][c:39]([F:43])[cH:40][cH:41][cH:42]2)[CH2:24][N:25]([C:28]([CH2:29][CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])=[O:36])[CH2:26][CH2:27]1.[CH3:47][CH2:48][OH:49].[ClH:46].[Na+:45].[OH-:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]([CH:9]([CH3:10])[c:11]1[cH:12][cH:13][cH:14][c:15]2[cH:16][cH:17][cH:18][cH:19][c:20]12)[CH2:21][CH:22]1[CH:23]([c:37]2[cH:38][c:39]([F:43])[cH:40][cH:41][cH:42]2)[CH2:24][N:25]([C:28]([CH2:29][CH2:30][C:31](=[O:32])[OH:33])=[O:36])[CH2:26][CH2:27]1

Participants

6

Reactant 5

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 178471735ethyl 4-[3-(3-fluorophenyl)-4-[[(2-methylpropan-2-yl)oxycarbonyl-(1-naphthalen-1-ylethyl)amino]methyl]piperidin-1-yl]-4-oxobutanoate

Product 1

HCID 178435698HCID 178435698, compound

Sources & evidence

ORD record
ord-baa4676f12a74ac7a103bb81ad01b6a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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