Hexafluorophosphate → HCID 57955593, compound

HRID 302399Notes

Reaction equation

HRID 302399 reaction equation
[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.[NH2:58][N:59]1[CH2:60][CH2:61][N:62]([C:65](=[O:66])[O:67][CH2:68][c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[CH2:63][CH2:64]1.[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>>[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])[NH:58][N:59]5[CH2:60][CH2:61][N:62]([C:65](=[O:66])[O:67][CH2:68][c:69]6[cH:70][cH:71][cH:72][cH:73][cH:74]6)[CH2:63][CH2:64]5)[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

5

Reactant 4

HCID 9886HexafluorophosphateHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 19710621HCID 19710621, compoundHCID 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 acid

Product 1

HCID 57955593HCID 57955593, compound

Sources & evidence

ORD record
ord-229bb936d8bb4a8385f267d63abb2230
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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