Hydrochloric Acid → 1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

HRID 1240868Notes

Reaction equation

HRID 1240868 reaction equation
[CH3:1][n:2]1[c:3](=[O:16])[n:4]([CH3:15])[c:5]2[n:6][c:7]([C:12](=[O:13])[OH:14])[nH:8][c:9]2[c:10]1=[O:11].[CH:17]([N:18]([CH2:19][CH3:20])[CH:21]([CH3:22])[CH3:23])([CH3:24])[CH3:25].[CH:52]([CH3:53])([CH3:54])[N:55]1[CH2:56][CH2:57][CH:58]([NH2:61])[CH2:59][CH2:60]1.[ClH:50].[ClH:51].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[P-:26]([F:27])([F:28])([F:29])([F:30])([F:31])[F:32].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[n:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[CH3:1][n:2]1[c:3](=[O:16])[n:4]([CH3:15])[c:5]2[n:6][c:7]([C:12](=[O:14])[NH:61][CH:58]3[CH2:57][CH2:56][N:55]([CH:52]([CH3:53])[CH3:54])[CH2:60][CH2:59]3)[nH:8][c:9]2[c:10]1=[O:11]

Participants

8

Reactant 7

HCID 313Hydrochloric Acid2×HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 2252091,3-Dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1h-purine-8-carboxylic acidHCID 31633331-(Propan-2-yl)piperidin-4-amineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminium

Product 1

HCID 865958771,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purine-8-carboxylic acid (1-isopropyl-piperidin-4-yl)-amide

Sources & evidence

ORD record
ord-ccf91f72ba094ebfb788896d0ed9f58c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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