Ammonium → propan-2-yl 7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate

HRID 1231723Notes

Reaction equation

HRID 1231723 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:12])[N:13]1[CH2:14][c:15]2[n:16]([c:19]([C:25]([F:26])([F:27])[F:28])[n:20][c:21]2[C:22](=[O:23])[OH:24])[CH2:17][CH2:18]1)[CH2:29][c:30]1[c:31]([F:38])[cH:32][c:33]([F:37])[c:34]([F:36])[cH:35]1.[CH3:65][CH2:66][N:67]([CH2:68][CH3:69])[CH2:70][CH3:71].[CH:54]([CH3:55])([CH3:56])[O:57][Na:58].[CH:61]([OH:62])([CH3:63])[CH3:64].[Cl-:59].[Cl:72][CH2:73][Cl:74].[NH4+:60].[O:39]=[C:40]1[N:41]([P:42]([Cl:43])([N:44]2[CH2:45][CH2:46][O:47][C:48]2=[O:49])=[O:50])[CH2:51][CH2:52][O:53]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([CH2:10][C:11](=[O:12])[N:13]1[CH2:14][c:15]2[n:16]([c:19]([C:25]([F:26])([F:27])[F:28])[n:20][c:21]2[C:22]([O:23][CH:54]([CH3:55])[CH3:56])=[O:24])[CH2:17][CH2:18]1)[CH2:29][c:30]1[c:31]([F:38])[cH:32][c:33]([F:37])[c:34]([F:36])[cH:35]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 3776IsopropanolHCID 6344DichloromethaneHCID 8471TriethylamineHCID 152842Bis(2-oxo-3-oxazolidinyl)phosphinic chlorideHCID 575184047-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylic acidHCID 178459997HCID 178459997, compound

Product 1

HCID 57518470propan-2-yl 7-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxylate

Sources & evidence

ORD record
ord-84453a00e0804604853d630c7932ca33
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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