Hexafluorophosphate → HCID 57955538, compound

HRID 1136878Notes

Reaction equation

HRID 1136878 reaction equation
[CH:1]1([N:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[cH:23][c:24]([F:33])[c:25]([C:26](=[O:27])[OH:28])[cH:29][c:30]4[O:31][CH3:32])[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1.[CH:58]1([CH2:61][N:62]2[CH2:63][CH2:64][NH:65][CH2:66][CH2:67]2)[CH2:59][CH2:60]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:6]2[c:7]3[c:8]([cH:17][n:18][c:19]([NH:21][c:22]4[cH:23][c:24]([F:33])[c:25]([C:26](=[O:28])[N:65]5[CH2:64][CH2:63][N:62]([CH2:61][CH:58]6[CH2:59][CH2:60]6)[CH2:67][CH2:66]5)[cH:29][c:30]4[O:31][CH3:32])[n:20]3)[N:9]([CH3:16])[C:10](=[O:15])[C:11]([F:13])([F:14])[CH2:12]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

5

Reactant 4

HCID 9886HexafluorophosphateHCID 9658751-(Cyclopropylmethyl)piperazineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 252536794-(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-2-fluoro-5-methoxybenzoic acid

Product 1

HCID 57955538HCID 57955538, compound

Sources & evidence

ORD record
ord-752c02b9797d48299b04aa03cb14f2e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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