3-Hydroxybutyric Acid → HCID 178448608, compound

HRID 172217Notes

Reaction equation

HRID 172217 reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[n:5]1[c:6]2[n:7][c:8](-[c:27]3[cH:28][n:29][c:30]([NH2:33])[n:31][cH:32]3)[n:9][c:10]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[c:11]2[n:12][c:13]1[N:14]1[CH2:15][CH:16]([CH3:20])[NH:17][CH2:18][CH2:19]1.[CH3:59][CH:60]([OH:61])[CH2:62][C:63]([OH:64])=[O:65].[CH3:66][N:67]([CH3:68])[CH:69]=[O:70].[CH:34]1([N:35]=[C:36]=[N:37][CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]1.[OH:49][n:50]1[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[n:5]1[c:6]2[n:7][c:8](-[c:27]3[cH:28][n:29][c:30]([NH2:33])[n:31][cH:32]3)[n:9][c:10]([N:21]3[CH2:22][CH2:23][O:24][CH2:25][CH2:26]3)[c:11]2[n:12][c:13]1[N:14]1[CH2:15][CH:16]([CH3:20])[N:17]([C:63]([CH2:62][CH:60]([CH3:59])[OH:61])=[O:64])[CH2:18][CH2:19]1

Participants

6

Reactant 5

HCID 4413-Hydroxybutyric AcidHCID 6228DimethylformamideHCID 10868DicyclohexylcarbodiimideHCID 757711-HydroxybenzotriazoleHCID 722576215-[8-(3-Methylpiperazin-1-yl)-9-(2-methylpropyl)-6-morpholin-4-ylpurin-2-yl]pyrimidin-2-amine

Product 1

HCID 178448608HCID 178448608, compound

Sources & evidence

ORD record
ord-a0b41799ad414430888b989baf46ea87
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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