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Hydroxide → 3-((2-Tert-butoxycarbonylamino-2-methyl-3-phenylpropoxy)methyl)-5-(1-cyanocyclopentyl)benzoic acid

HRID 112996
Notes
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Reaction equation

HRID 112996 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][O:11][CH2:12][c:13]1[cH:14][c:15]([C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:21][c:22]([C:24]2([C:29]#[N:30])[CH2:25][CH2:26][CH2:27][CH2:28]2)[cH:23]1)([CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[CH3:38].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[Li+:40].[OH-:39].[OH2:41].[OH2:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][C:9]([CH2:10][O:11][CH2:12][c:13]1[cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:21][c:22]([C:24]2([C:29]#[N:30])[CH2:25][CH2:26][CH2:27][CH2:28]2)[cH:23]1)([CH2:31][c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1)[CH3:38]
ParticipantsSources & evidenceReaction notes

Participants

6

Reactant 5

HCID 961HydroxideHCID 962Water2×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 67319292Ethyl 3-((2-tert-butoxycarbonylamino-2-methyl-3-phenylpropoxy)methyl)-5-(1-cyanocyclopentyl)benzoate

Product 1

HCID 67319183
3-((2-Tert-butoxycarbonylamino-2-methyl-3-phenylpropoxy)methyl)-5-(1-cyanocyclopentyl)benzoic acid

Sources & evidence

ORD record
ord-e8bd2ce1f343457b880d96424fdb64f8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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