2-(6,8-Difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid → 3-{4-[2-(6,8-Difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoylamino]-imidazol-1-yl}-3-methyl-butyric acid methyl ester

HRID 87837

Reaction equation

HRID 87837 reaction equation
[CH3:1][O:2][C:3]([CH2:4][C:5]([CH3:6])([n:7]1[cH:8][n:9][c:10]([N+:12]([O-:13])=[O:14])[cH:11]1)[CH3:15])=[O:16].[F:17][c:18]1[cH:19][c:20]2[c:25]([c:26]([F:28])[cH:27]1)[CH2:24][CH:23]([NH:29][CH:30]([C:31](=[O:32])[OH:33])[CH2:34][CH2:35][CH3:36])[CH2:22][CH2:21]2>>[CH3:1][O:2][C:3]([CH2:4][C:5]([CH3:6])([n:7]1[cH:8][n:9][c:10]([NH:12][C:31]([CH:30]([NH:29][CH:23]2[CH2:22][CH2:21][c:20]3[cH:19][c:18]([F:17])[cH:27][c:26]([F:28])[c:25]3[CH2:24]2)[CH2:34][CH2:35][CH3:36])=[O:32])[cH:11]1)[CH3:15])=[O:16]

Participants

3

Reactant 2

HCID 211128022-(6,8-Difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acidHCID 671649613-Methyl-3-(4-nitro-imidazol-1-yl)-butyric acid methyl ester

Product 1

HCID 116840693-{4-[2-(6,8-Difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoylamino]-imidazol-1-yl}-3-methyl-butyric acid methyl ester

Sources & evidence

ORD record
ord-876c236924454d939bf29ee6a7d03017
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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