Ethanol → tert-butyl 7-(6-(4-aminophenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

HRID 124410Notes

Reaction equation

HRID 124410 reaction equation
[CH3:45][CH2:46][OH:47].[N+:1]([O-:2])(=[O:3])[c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12]([N:24]3[CH2:25][CH:26]4[CH2:27][N:28]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:29][CH:30]([CH2:31]3)[O:32]4)[c:13]3[c:14]([n:15]2)[n:16]([CH2:19][C:20]([F:21])([F:22])[F:23])[n:17][cH:18]3)[cH:8][cH:9]1.[O:40]1[CH2:41][CH2:42][CH2:43][CH2:44]1>>[NH2:1][c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12]([N:24]3[CH2:25][CH:26]4[CH2:27][N:28]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:29][CH:30]([CH2:31]3)[O:32]4)[c:13]3[c:14]([n:15]2)[n:16]([CH2:19][C:20]([F:21])([F:22])[F:23])[n:17][cH:18]3)[cH:8][cH:9]1

Participants

4

Reactant 3

HCID 702EthanolHCID 8028TetrahydrofuranHCID 66589070tert-butyl 7-(6-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Product 1

HCID 66589151tert-butyl 7-(6-(4-aminophenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Sources & evidence

ORD record
ord-d255f369247340a8b4585a0c64b9d382
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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