Glyceric acid → 7-Amino-5-[1-(2,3-dihydroxypropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

HRID 2135193Notes

Reaction equation

HRID 2135193 reaction equation
[CH3:64][CH2:65][N:66]=[C:67]=[N:68][CH2:69][CH2:70][CH2:71][N:72]([CH3:73])[CH3:74].[CH:38]([N:39]([CH2:40][CH3:41])[CH:42]([CH3:43])[CH3:44])([CH3:45])[CH3:46].[F:31][C:32]([F:33])([F:34])[C:35]([OH:36])=[O:37].[NH2:1][c:2]1[c:3]([C:29]#[N:30])[c:4]([CH:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)[n:5][c:6]2[n:7]1[n:8][cH:9][c:10]2-[c:11]1[cH:12][n:13][c:14](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:15][cH:16]1.[O:75]=[CH:76][N:77]([CH3:78])[CH3:79].[OH:47][CH:48]([C:49](=[O:50])[OH:51])[CH2:52][OH:53].[OH:54][n:55]1[c:56]2[c:57]([cH:58][cH:59][cH:60][cH:61]2)[n:62][n:63]1>>[NH2:1][c:2]1[c:3]([C:29]#[N:30])[c:4]([CH:23]2[CH2:24][CH2:25][N:26]([C:49]([CH:48]([OH:47])[CH2:52][OH:53])=[O:50])[CH2:27][CH2:28]2)[n:5][c:6]2[n:7]1[n:8][cH:9][c:10]2-[c:11]1[cH:12][n:13][c:14](-[c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[cH:15][cH:16]1

Participants

8

Reactant 7

HCID 752Glyceric acidHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 159081-Ethyl-3-(3'-dimethylaminopropyl)carbodiimideHCID 757711-HydroxybenzotriazoleHCID 81531DiisopropylethylamineHCID 667388637-Amino-3-(6-phenylpyridin-3-yl)-5-(piperidin-4-yl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

Product 1

HCID 674944897-Amino-5-[1-(2,3-dihydroxypropanoyl)piperidin-4-yl]-3-(6-phenyl-3-pyridinyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

Sources & evidence

ORD record
ord-37b2eb54656740f5aef552788feeb697
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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