Ammonium → HCID 57955598, compound

HRID 1200328Notes

Reaction equation

HRID 1200328 reaction equation
[CH3:34][CH2:35][N:36]([CH2:37][CH3:38])[CH2:39][CH3:40].[CH3:48][N:49]([C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]1[c:55]2[c:56]([n:57][cH:58][cH:59][cH:60]2)[N+:61]([O-:62])=[N:63]1)[CH3:64].[CH3:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[CH3:73][N:74]([CH3:75])[CH:76]=[O:77].[CH:1]1([N:7]2[c:8]3[c:9]([cH:18][n:19][c:20]([NH:22][c:23]4[c:24]([O:32][CH3:33])[cH:25][c:26]([C:27](=[O:28])[OH:29])[cH:30][cH:31]4)[n:21]3)[N:10]([CH3:17])[C:11](=[O:16])[C:12]([F:14])([F:15])[CH2:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl-:65].[NH4+:66].[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47]>>[CH:1]1([N:7]2[c:8]3[c:9]([cH:18][n:19][c:20]([NH:22][c:23]4[c:24]([O:32][CH3:33])[cH:25][c:26]([C:27](=[O:28])[NH2:36])[cH:30][cH:31]4)[n:21]3)[N:10]([CH3:17])[C:11](=[O:16])[C:12]([F:14])([F:15])[CH2:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 6228DimethylformamideHCID 8471TriethylamineHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 252536804-(9-cyclohexyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-benzoic acidHCID 178484291HCID 178484291, compound

Product 1

HCID 57955598HCID 57955598, compound

Sources & evidence

ORD record
ord-7b833e5270a245c5be231ff05c1a3603
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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