Hexafluorophosphate → 4-(9-cyclopentyl-5,7,7-trimethyl-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 1218326Notes

Reaction equation

HRID 1218326 reaction equation
[CH:25]1([N:30]2[c:31]3[n:32][c:33]([NH:45][c:46]4[c:47]([O:55][CH3:56])[cH:48][c:49]([C:50](=[O:51])[OH:52])[cH:53][cH:54]4)[n:34][cH:35][c:36]3[N:37]([CH3:44])[C:38](=[O:43])[C:39]([CH3:41])([CH3:42])[CH2:40]2)[CH2:26][CH2:27][CH2:28][CH2:29]1.[CH:57]([N:58]([CH2:59][CH3:60])[CH:61]([CH3:62])[CH3:63])([CH3:64])[CH3:65].[NH2:66][c:67]1[cH:68][cH:69][c:70]([C:71](=[O:72])[NH:73][CH:74]2[CH2:75][CH2:76][N:77]([CH3:80])[CH2:78][CH2:79]2)[cH:81][c:82]1[O:83][CH3:84].[P-:1]([F:2])([F:3])([F:4])([F:5])([F:6])[F:7].[n:8]1([O:9][C:10]([N:11]([CH3:12])[CH3:13])=[N+:14]([CH3:15])[CH3:16])[c:17]2[n:18][cH:19][cH:20][cH:21][c:22]2[n:23][n:24]1>>[CH:25]1([N:30]2[c:31]3[n:32][c:33]([NH:45][c:46]4[c:47]([O:55][CH3:56])[cH:48][c:49]([C:50](=[O:52])[NH:73][CH:74]5[CH2:75][CH2:76][N:77]([CH3:80])[CH2:78][CH2:79]5)[cH:53][cH:54]4)[n:34][cH:35][c:36]3[N:37]([CH3:44])[C:38](=[O:43])[C:39]([CH3:41])([CH3:42])[CH2:40]2)[CH2:26][CH2:27][CH2:28][CH2:29]1

Participants

6

Reactant 5

HCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 115290634-Amino-3-methoxy-n-(1-methylpiperidin-4-yl)benzamideHCID 426107874-(9-cyclopentyl-5,7,7-trimethyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-ylamino)-3-methoxybenzoic acid

Product 1

HCID 250154654-(9-cyclopentyl-5,7,7-trimethyl-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-882c6efef9e54311a6e8702c864bcb71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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