Hydrochloric Acid → Hydrochloric Acid

HRID 191899Notes

Reaction equation

HRID 191899 reaction equation
[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([C:12]2([CH2:15][N:16]([CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:13][CH2:14]2)[cH:10][cH:11]1)[O:31][CH2:32][CH3:33])=[O:34].[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[ClH:35]>>[CH3:1][O:2][C:3]([CH:4]([CH2:5][c:6]1[cH:7][cH:8][c:9]([C:12]2([CH2:15][NH:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])[CH2:13][CH2:14]2)[cH:10][cH:11]1)[O:31][CH2:32][CH3:33])=[O:34].[ClH:35]

Participants

5

Reactant 3

HCID 313Hydrochloric AcidHCID 8857Ethyl AcetateHCID 698840843-(4-{1-((Tert-butoxycarbonyl-heptyl-amino)-methyl]-cyclopropyl}-phenyl)-2-ethoxy-propionic acid methyl ester

Product 2

HCID 313Hydrochloric AcidHCID 698835502-Ethoxy-3-[4-(1-heptylaminomethyl-cyclopropyl)-phenyl]-propionic acid methyl ester

Sources & evidence

ORD record
ord-4aae8d3457904600844238f2a3beba94
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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