Acetate → tert-Butyl 4-[7-amino-1-(4-nitrophenyl)-1H-pyrazolo[4,3-d]pyrimidine-3-yl]-1,2,3,6-tetrahydro-1-pyridinecarboxylate

HRID 2155447Notes

Reaction equation

HRID 2155447 reaction equation
[CH3:21][C:22]1([CH3:23])[C:24]([CH3:25])([CH3:26])[O:27][B:28]([C:29]2=[CH:41][CH2:40][N:32]([C:33]([O:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[CH2:31][CH2:30]2)[O:42]1.[CH3:78][C:79](=[O:80])[O-:81].[I:1][c:2]1[c:3]2[n:4][cH:5][n:6][c:7]([NH2:8])[c:9]2[n:10](-[c:11]2[cH:12][cH:13][c:14]([N+:15]([O-:16])=[O:17])[cH:18][cH:19]2)[n:20]1.[NH2:43][c:44]1[c:45]2[c:46]([n:47][cH:48][n:49]1)[c:50]([C:64]1=[CH:69][CH2:68][N:67]([C:70](=[O:71])[O:72][C:73]([CH3:74])([CH3:75])[CH3:76])[CH2:66][CH2:65]1)[n:51][n:52]2-[c:53]1[cH:54][c:55]([O:62][CH3:63])[c:56]([N+:59](=[O:60])[O-:61])[cH:57][cH:58]1.[NH4+:77]>>[NH2:43][c:44]1[c:45]2[c:46]([n:47][cH:48][n:49]1)[c:50]([C:64]1=[CH:69][CH2:68][N:67]([C:70](=[O:71])[O:72][C:73]([CH3:74])([CH3:75])[CH3:76])[CH2:66][CH2:65]1)[n:51][n:52]2-[c:53]1[cH:54][cH:55][c:56]([N+:59](=[O:60])[O-:61])[cH:57][cH:58]1

Participants

6

Reactant 5

HCID 175AcetateHCID 223AmmoniumHCID 4642098Tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,6-tetrahydropyridine-1-carboxylateHCID 68519649HCID 68519649, compoundHCID 68520441HCID 68520441, compound

Product 1

HCID 68519460tert-Butyl 4-[7-amino-1-(4-nitrophenyl)-1H-pyrazolo[4,3-d]pyrimidine-3-yl]-1,2,3,6-tetrahydro-1-pyridinecarboxylate

Sources & evidence

ORD record
ord-f4e1fe07b8ac421dacadb70963388427
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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