Ethanol → tert-butyl 4-[4-amino-3-(4-{[-1-(2-hydroxyphenyl)methylidene]amino}phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate

HRID 183743Notes

Reaction equation

HRID 183743 reaction equation
[CH3:40][CH2:41][OH:42].[CH:1](=[O:2])[c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[OH:9].[NH2:10][c:11]1[c:12]2[c:13]([n:14][cH:15][n:16]1)[n:17]([CH:27]1[CH2:28][CH2:29][N:30]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:31][CH2:32]1)[n:18][c:19]2-[c:20]1[cH:21][cH:22][c:23]([NH2:26])[cH:24][cH:25]1>>[CH:1]([c:3]1[cH:4][cH:5][cH:6][cH:7][c:8]1[OH:9])=[N:26][c:23]1[cH:22][cH:21][c:20](-[c:19]2[c:12]3[c:11]([NH2:10])[n:16][cH:15][n:14][c:13]3[n:17]([CH:27]3[CH2:28][CH2:29][N:30]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:31][CH2:32]3)[n:18]2)[cH:25][cH:24]1

Participants

4

Reactant 3

HCID 702EthanolHCID 6998SalicylaldehydeHCID 22346962tert-butyl 4-[4-amino-3-(4-aminophenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate

Product 1

HCID 136343241tert-butyl 4-[4-amino-3-(4-{[-1-(2-hydroxyphenyl)methylidene]amino}phenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinecarboxylate

Sources & evidence

ORD record
ord-040a393e272e4f9c92ccf11d452fa8ec
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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