Acetic Acid → 4-[[N-(2-(tert-butoxycarbonylamino)-4,5-difluorobenzoyl)glycyl]aminomethyl]-1-(4-hydroxy-3-nitrobenzyl)piperidine

HRID 193522

Reaktionsgleichung

Reaktionsgleichung von HRID 193522
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][CH2:14][C:15](=[O:16])[NH:17][CH2:18][CH:19]2[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]2)[cH:25][c:26]([F:30])[c:27]([F:29])[cH:28]1.[C:47]([BH3-:48])#[N:49].[CH3:43][C:44](=[O:45])[OH:46].[CH3:51][OH:52].[Na+:50].[OH:31][c:32]1[c:33]([N+:40](=[O:41])[O-:42])[cH:34][c:35]([CH:36]=[O:37])[cH:38][cH:39]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([C:11](=[O:12])[NH:13][CH2:14][C:15](=[O:16])[NH:17][CH2:18][CH:19]2[CH2:20][CH2:21][N:22]([CH2:36][c:35]3[cH:34][c:33]([N+:40](=[O:41])[O-:42])[c:32]([OH:31])[cH:39][cH:38]3)[CH2:23][CH2:24]2)[cH:25][c:26]([F:30])[c:27]([F:29])[cH:28]1

Komponenten

7

Edukt 6

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 181694-Hydroxy-3-nitrobenzaldehydeHCID 498716Cyano-borohydrideHCID 184262024-[[N-(2-(tert-butoxycarbonylamino)-4,5-difluorobenzoyl)glycyl]aminomethyl]piperidine

Produkt 1

HCID 184261264-[[N-(2-(tert-butoxycarbonylamino)-4,5-difluorobenzoyl)glycyl]aminomethyl]-1-(4-hydroxy-3-nitrobenzyl)piperidine

Quellen und Nachweise

ORD-Eintrag
ord-89d3881d76a5494191743ca1b6ae25f3
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

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