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

HRID 126447Notes

Reaction equation

HRID 126447 reaction equation
[CH:40]12[O:41][CH:42]([CH2:43][CH2:44]1)[CH2:45][N:46]([c:47]1[n:48][c:49](-[c:50]3[cH:51][cH:52][c:53]([NH2:54])[cH:55][cH:56]3)[n:57][c:58]3[n:59]([CH2:60][C:61]([F:62])([F:63])[F:64])[n:65][cH:66][c:67]13)[CH2:68]2.[CH:69]12[NH:70][CH:71]([CH2:72][N:73]([C:74]([O:75][C:76]([CH3:77])([CH3:78])[CH3:79])=[O:80])[CH2:81]1)[CH2:82][O:83][CH2:84]2.[CH:86]12[O:87][CH:88]([CH2:89][CH2:90]1)[CH2:91][NH:92][CH2:93]2.[ClH:85].[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[CH:25]4[CH2:26][O:27][CH2:28][CH:29]3[CH2:30][N:31]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:32]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>>[NH2:1][c:4]1[cH:5][cH:6][c:7](-[c:10]2[n:11][c:12]([N:24]3[CH:25]4[CH2:26][O:27][CH2:28][CH:29]3[CH2:30][N:31]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:32]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

6

Reactant 5

HCID 313Hydrochloric AcidHCID 120692318-Oxa-3-azabicyclo[3.2.1]octaneHCID 53415349tert-Butyl 3-oxa-7,9-diazabicyclo(3.3.1)nonane-7-carboxylateHCID 574246364-[4-(8-oxa-3-aza-bicyclo[3.2.1]oct-3-yl)-1-(2,2,2-trifluoro-ethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-phenylamineHCID 66589067Tert-butyl 9-[6-(4-nitrophenyl)-1-(2,2,2-trifluoroethyl)pyrazolo[3,4-d]pyrimidin-4-yl]-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate

Product 1

HCID 66588941tert-butyl 9-(6-(4-aminophenyl)-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-oxa-7,9-diazabicyclo[3.3.1]nonane-7-carboxylate

Sources & evidence

ORD record
ord-9e2073461eaf4d31b05c4598ef5e0f24
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

Loading…