Hydrochloric Acid → 2-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-4-cyano-pyrrolidine-1-carboxylic acid tert-butyl ester

HRID 114778

Reaktionsgleichung

Reaktionsgleichung von HRID 114778
[C:16]([CH3:17])([CH3:18])([CH3:19])[O:20][C:21](=[O:22])[N:23]1[CH:24]([C:30](=[O:31])[OH:32])[CH2:25][CH:26]([C:28]#[N:29])[CH2:27]1.[CH3:66][OH:67].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[CH:33]([N:34]([CH:35]([CH3:36])[CH3:37])[CH2:38][CH3:39])([CH3:40])[CH3:41].[ClH:15].[Li+:2].[NH2:4][CH2:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([Br:14])[cH:12][cH:13]1.[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH-:1].[OH2:3].[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][C:51]([N:52]([CH3:53])[CH3:54])=[N+:55]([CH3:56])[CH3:57])[c:58]2[n:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[NH:4]([CH2:5][C:6](=[O:7])[c:8]1[cH:9][cH:10][c:11]([Br:14])[cH:12][cH:13]1)[C:30]([CH:24]1[N:23]([C:21]([O:20][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:22])[CH2:27][CH:26]([C:28]#[N:29])[CH2:25]1)=[O:31]

Komponenten

13

Edukt 12

HCID 313Hydrochloric AcidHCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 216392-Amino-1-(4-bromophenyl)ethanoneHCID 28486Lithium ionHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 14842640(2S,4S)-1-(tert-Butoxycarbonyl)-4-cyano-2-pyrrolidinecarboxylic acid

Produkt 1

HCID 666213862-[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-4-cyano-pyrrolidine-1-carboxylic acid tert-butyl ester

Quellen und Nachweise

ORD-Eintrag
ord-e69e006ced994790a1d8a86126dcb499
Quelldatensatz
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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