Ethanol → HCID 178456792, compound

HRID 171625Notes

Reaction equation

HRID 171625 reaction equation
[CH2:38]1[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1.[CH3:44][CH2:45][OH:46].[Cl:8][c:9]1[cH:10][cH:11][c:12]([F:37])[c:13]([NH:15][c:16]2[n:17][c:18]3[n:19]([c:20]([NH:22][CH2:23][CH:24]([CH3:25])[N:26]4[CH2:27][CH2:28][O:29][CH2:30][CH2:31]4)[cH:21]2)[n:32][cH:33][c:34]3[CH:35]=[O:36])[cH:14]1.[O:1]=[C:2]1[CH2:3][NH:4][C:5](=[O:6])[NH:7]1.[OH2:47]>>[O:1]=[C:2]1[C:3](=[CH:35][c:34]2[c:18]3[n:17][c:16]([NH:15][c:13]4[c:12]([F:37])[cH:11][cH:10][c:9]([Cl:8])[cH:14]4)[cH:21][c:20]([NH:22][CH2:23][CH:24]([CH3:25])[N:26]4[CH2:27][CH2:28][O:29][CH2:30][CH2:31]4)[n:19]3[n:32][cH:33]2)[NH:4][C:5](=[O:6])[NH:7]1

Participants

6

Reactant 5

HCID 702EthanolHCID 962WaterHCID 8082PiperidineHCID 10006HydantoinHCID 583140035-(5-Chloro-2-fluorophenylamino)-7-(2-morpholinopropylamino)pyrazolo[1,5-a]pyrimidine-3-carbaldehyde

Product 1

HCID 178456792HCID 178456792, compound

Sources & evidence

ORD record
ord-60a2a9b948814632b4d39dc05729b4a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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