Pyridine → 7-Chloro-1H-pyrazolo[4,3-d]pyrimidine

HRID 680656Notes

Reaction equation

HRID 680656 reaction equation
[CH2:50]([N:51]([CH2:52][CH3:53])[c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[CH3:60].[CH3:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1.[CH3:90][CH2:91][N:92]([CH2:93][CH3:94])[CH2:95][CH3:96].[CH:41]([N:42]([CH:43]([CH3:44])[CH3:45])[CH2:46][CH3:47])([CH3:48])[CH3:49].[O:33]=[C:34]1[N:35]([Br:36])[C:37](=[O:38])[CH2:39][CH2:40]1.[O:78]1[CH2:79][CH2:80][O:81][CH2:82][CH2:83]1.[P:10]([Br:11])([Br:12])[Br:13].[P:5]([Cl:6])([Cl:7])([Cl:8])=[O:9].[S:1]([Cl:2])([Cl:3])=[O:4].[c:14]1([P:15]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1.[cH:84]1[cH:85][cH:86][n:87][cH:88][cH:89]1.[nH:61]1[n:62][cH:63][c:64]2[c:65]1[c:66]([OH:70])[n:67][cH:68][n:69]2>>[Cl:7][c:66]1[c:65]2[nH:61][n:62][cH:63][c:64]2[n:69][cH:68][n:67]1

Participants

13

Reactant 12

HCID 1049PyridineHCID 1140TolueneHCID 7061N,N-DiethylanilineHCID 8471TriethylamineHCID 11776TriphenylphosphineHCID 24386Thionyl ChlorideHCID 24614Phosphorus tribromideHCID 24813Phosphorus oxychlorideHCID 312751,4-DioxaneHCID 67184N-bromobutanimideHCID 81531DiisopropylethylamineHCID 178518036HCID 178518036, compound

Product 1

HCID 665706577-Chloro-1H-pyrazolo[4,3-d]pyrimidine

Sources & evidence

ORD record
ord-77c5c3e7396d4791ad2d16cededa5d8e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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