Hexafluorophosphate → 4-(9-Cyclohexyl-7-ethyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

HRID 2149727Notes

Reaction equation

HRID 2149727 reaction equation
[CH3:59][N:60]1[CH2:61][CH2:62][CH:63]([NH2:66])[CH2:64][CH2:65]1.[CH:1]1([N:7]2[c:8]3[c:9]([cH:19][n:20][c:21]([NH:23][c:24]4[c:25]([O:33][CH3:34])[cH:26][c:27]([C:28](=[O:29])[OH:30])[cH:31][cH:32]4)[n:22]3)[N:10]([CH3:18])[C:11](=[O:17])[C:12]([F:14])([CH2:15][CH3:16])[CH2:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[n:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH:1]1([N:7]2[c:8]3[c:9]([cH:19][n:20][c:21]([NH:23][c:24]4[c:25]([O:33][CH3:34])[cH:26][c:27]([C:28](=[O:30])[NH:66][CH:63]5[CH2:62][CH2:61][N:60]([CH3:59])[CH2:65][CH2:64]5)[cH:31][cH:32]4)[n:22]3)[N:10]([CH3:18])[C:11](=[O:17])[C:12]([F:14])([CH2:15][CH3:16])[CH2:13]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1

Participants

5

Reactant 4

HCID 9886HexafluorophosphateHCID 27375314-Amino-1-methylpiperidineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 67117835HCID 67117835, compound

Product 1

HCID 252529134-(9-Cyclohexyl-7-ethyl-7-fluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide

Sources & evidence

ORD record
ord-65f115d425ab4460886e4ba09b03b7fc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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