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Acetic Acid → Tert-butyl 2-({6-[(tert-butoxycarbonyl)amino]pyridin-3-yl}methyl)-5-(3-hydroxyphenyl)-3-[(4-methoxybenzyl)thio]pentanoate

HRID 106695
Notes
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Reaction equation

HRID 106695 reaction equation
[C:55]([Si:56]([O:57][c:58]1[cH:59][cH:60][cH:61][c:62]([I:63])[cH:64]1)([CH3:65])[CH3:66])([CH3:67])([CH3:68])[CH3:69].[C:5]([CH3:6])([CH3:7])([CH3:8])[O:9][C:10](=[O:11])[NH:12][c:13]1[cH:14][cH:15][c:16]([CH2:19][CH:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH:28]([CH2:29][CH2:30][c:31]2[cH:32][c:33]([O:37][Si:38]([C:39]([CH3:40])([CH3:41])[CH3:42])([CH3:43])[CH3:44])[cH:34][cH:35][cH:36]2)[S:45][CH2:46][c:47]2[cH:48][cH:49][c:50]([O:53][CH3:54])[cH:51][cH:52]2)[cH:17][n:18]1.[CH2:74]([N+:75]([CH2:76][CH2:77][CH2:78][CH3:79])([CH2:80][CH2:81][CH2:82][CH3:83])[CH2:84][CH2:85][CH2:86][CH3:87])[CH2:88][CH2:89][CH3:90].[CH2:91]1[O:92][CH2:93][CH2:94][CH2:95]1.[CH3:1][C:2](=[O:3])[OH:4].[CH3:96][CH2:97][O:98][C:99]([CH3:100])=[O:101].[F-:73].[OH2:70].[OH2:71].[OH2:72]>>[C:5]([CH3:6])([CH3:7])([CH3:8])[O:9][C:10](=[O:11])[NH:12][c:13]1[cH:14][cH:15][c:16]([CH2:19][CH:20]([C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH:28]([CH2:29][CH2:30][c:31]2[cH:32][c:33]([OH:37])[cH:34][cH:35][cH:36]2)[S:45][CH2:46][c:47]2[cH:48][cH:49][c:50]([O:53][CH3:54])[cH:51][cH:52]2)[cH:17][n:18]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 962Water3×HCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 27572803-(t-Butyldimethylsiloxy)iodobenzene
HCID 69072378
Tert-butyl 2-({6-[(tert-butoxycarbonyl)amino]pyridin-3-yl}methyl)-5-(3-{[tert-butyl(dimethyl)silyl]oxy}phenyl)-3-[(4-methoxybenzyl)thio]pentanoate

Product 1

HCID 69072041Tert-butyl 2-({6-[(tert-butoxycarbonyl)amino]pyridin-3-yl}methyl)-5-(3-hydroxyphenyl)-3-[(4-methoxybenzyl)thio]pentanoate

Sources & evidence

ORD record
ord-6bfce587047d4182abc1a6d130636210
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes