Ammonium → HCID 57518473, compound

HRID 2156669Notes

Reaction equation

HRID 2156669 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.[CH3:54][C:55]([CH3:56])([O-:57])[CH3:58].[CH3:62][C:63]([OH:64])([CH3:65])[CH3:66].[CH3:67][CH2:68][N:69]([CH2:70][CH3:71])[CH2:72][CH3:73].[Cl-:60].[Cl:74][CH2:75][Cl:76].[K+:59].[NH4+:61].[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][C:55]([CH3:54])([CH3:56])[CH3:58])=[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

10

Reactant 9

HCID 223AmmoniumHCID 312ChlorideHCID 813Potassium CationHCID 6344DichloromethaneHCID 6386tert-ButanolHCID 8471TriethylamineHCID 152842Bis(2-oxo-3-oxazolidinyl)phosphinic chlorideHCID 45749132-Methylpropan-2-olateHCID 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 acid

Product 1

HCID 57518473HCID 57518473, compound

Sources & evidence

ORD record
ord-4b9f33e26b724f4695aa1014adb135c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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