Sodium ion → Ethyl 4-(3-cyclohexyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methoxyphenylcarbamate

HRID 303372Notes

Reaction equation

HRID 303372 reaction equation
[C:27]([O:28][CH2:29][CH3:30])(=[O:31])[Cl:32].[CH3:33][CH2:34][N:35]([CH2:36][CH3:37])[CH2:38][CH3:39].[NH2:1][c:2]1[cH:3][c:4]([O:25][CH3:26])[c:5](-[c:8]2[nH:9][c:10](=[O:24])[c:11]3[c:12]([n:13]2)[n:14]([CH3:23])[n:15][c:16]3[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:6][cH:7]1.[Na+:41].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH-:40].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[NH:1]([c:2]1[cH:3][c:4]([O:25][CH3:26])[c:5](-[c:8]2[nH:9][c:10](=[O:24])[c:11]3[c:12]([n:13]2)[n:14]([CH3:23])[n:15][c:16]3[CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[cH:6][cH:7]1)[C:27]([O:28][CH2:29][CH3:30])=[O:31]

Participants

8

Reactant 7

HCID 923Sodium ionHCID 961HydroxideHCID 1049PyridineHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 10928Ethyl chloroformateHCID 1359488876-(4-Amino-2-methoxyphenyl)-3-cyclohexyl-1-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

Product 1

HCID 136005767Ethyl 4-(3-cyclohexyl-1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)-3-methoxyphenylcarbamate

Sources & evidence

ORD record
ord-92dac91120c2460f8f7fd163ed07e7e1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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