Hydrochloric Acid → 2-[2-({[2-(4-Bromo-phenyl)-2-oxo-ethyl carbamoyl]-methyl}-tert-butoxycarbonyl-amino)-acetylamino]-3-methyl-butyric acid methyl ester

HRID 2127085Notes

Reaction equation

HRID 2127085 reaction equation
[Br:8][c:9]1[cH:10][cH:11][c:12]([C:15]([CH2:16][NH:17][C:18](=[O:19])[CH2:20][N:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29][C:30](=[O:31])[OH:32])=[O:33])[cH:13][cH:14]1.[CH3:1][N:2]1[CH2:3][CH2:4][O:5][CH2:6][CH2:7]1.[CH3:59][O:60][C:61]([CH:62]([NH2:63])[CH:64]([CH3:65])[CH3:66])=[O:67].[CH3:68][N:69]([CH3:70])[CH:71]=[O:72].[ClH:58].[P-:34]([F:35])([F:36])([F:37])([F:38])([F:39])[F:40].[n:41]1([O:42][C:43]([N:44]([CH3:45])[CH3:46])=[N+:47]([CH3:48])[CH3:49])[c:50]2[n:51][cH:52][cH:53][cH:54][c:55]2[n:56][n:57]1>>[Br:8][c:9]1[cH:10][cH:11][c:12]([C:15]([CH2:16][NH:17][C:18](=[O:19])[CH2:20][N:21]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:29][C:30](=[O:31])[NH:63][CH:62]([C:61]([O:60][CH3:59])=[O:67])[CH:64]([CH3:65])[CH3:66])=[O:33])[cH:13][cH:14]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 79724-MethylmorpholineHCID 9886HexafluorophosphateHCID 409683DL-Valine methylesterHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 59611182({[2-(4-Bromo-phenyl)-2-oxo-ethylcarbamoyl]-methyl}-tert-butoxycarbonyl-amino)-acetic acid

Product 1

HCID 666202862-[2-({[2-(4-Bromo-phenyl)-2-oxo-ethyl carbamoyl]-methyl}-tert-butoxycarbonyl-amino)-acetylamino]-3-methyl-butyric acid methyl ester

Sources & evidence

ORD record
ord-1bf7a26a87fc4e6cb89e6db2067cc4e5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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