Acetic Acid → N-[4-(3-cyclohexyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methoxyphenyl]urea

HRID 1221832Notes

Reaction equation

HRID 1221832 reaction equation
[CH3:1][C:2](=[O:3])[OH:4].[K:31][O:32][C:33]#[N:34].[NH2:5][c:6]1[cH:7][c:8]([O:29][CH3:30])[c:9](-[c:12]2[nH:13][c:14](=[O:28])[c:15]3[c:16]([n:17]2)[n:18]([CH3:27])[n:19][c:20]3[CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:10][cH:11]1.[OH2:35]>>[NH:5]([c:6]1[cH:7][c:8]([O:29][CH3:30])[c:9](-[c:12]2[nH:13][c:14](=[O:28])[c:15]3[c:16]([n:17]2)[n:18]([CH3:27])[n:19][c:20]3[CH:21]2[CH2:22][CH2:23][CH2:24][CH2:25][CH2:26]2)[cH:10][cH:11]1)[C:33](=[O:32])[NH2:34]

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 962WaterHCID 1359488876-(4-Amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-oneHCID 178418250HCID 178418250, compound

Product 1

HCID 136005909N-[4-(3-cyclohexyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methoxyphenyl]urea

Sources & evidence

ORD record
ord-2627ac88dd5c49e284054bc4dd198744
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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