Dimethyl Sulfoxide → 7-(2,2-Dimethyl-propyl)-6-(3-methyl-2,4-dioxo-1-propyl-1,3,8-triaza-spiro[4,5]dec-8-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

HRID 138741Notes

Reaction equation

HRID 138741 reaction equation
[Br:50][CH2:51][c:52]1[cH:53][c:54]2[c:55]([n:56][c:57]([C:60]#[N:61])[n:58][cH:59]2)[n:62]1[CH2:63][C:64]([CH3:65])([CH3:66])[CH3:67].[C:1]([O:2][C:3]([N:4]1[CH2:5][CH2:6][C:7]2([NH:8][C:9](=[O:10])[N:11]([CH3:12])[C:13]2=[O:14])[CH2:15][CH2:16]1)=[O:17])([CH3:18])([CH3:19])[CH3:20].[C:21]([O:22][C:26](=[O:23])[N:28]1[CH2:29][CH2:30][C:31]2([C:32](=[O:41])[N:33]([CH3:40])[C:34](=[O:39])[N:35]2[CH2:36][CH2:37][CH3:38])[CH2:42][CH2:43]1)([CH3:24])([CH3:25])[CH3:27].[C:44](=[O:45])([O-:46])[O-:47].[CH3:83][S:84]([CH3:85])=[O:86].[Cl:73][CH2:74][Cl:75].[F:76][C:77]([F:78])([F:79])[C:80]([OH:81])=[O:82].[K+:48].[K+:49].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72]>>[CH2:26]([N:28]1[CH2:29][CH2:30][C:31]2([C:32](=[O:41])[N:33]([CH3:40])[C:34](=[O:39])[N:35]2[CH2:36][CH2:37][CH3:38])[CH2:42][CH2:43]1)[c:52]1[cH:53][c:54]2[c:55]([n:56][c:57]([C:60]#[N:61])[n:58][cH:59]2)[n:62]1[CH2:63][C:64]([CH3:65])([CH3:66])[CH3:67]

Participants

10

Reactant 9

HCID 679Dimethyl SulfoxideHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 113128256-Bromomethyl-7-(2,2-dimethyl-propyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrileHCID 18931276Tert-butyl 3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylateHCID 598346163-Methyl-2,4-dioxo-1-propyl-1,3,8-triaza-spiro[4,5]decane-8-carboxylic acid tert-butyl ester

Product 1

HCID 179682027-(2,2-Dimethyl-propyl)-6-(3-methyl-2,4-dioxo-1-propyl-1,3,8-triaza-spiro[4,5]dec-8-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile

Sources & evidence

ORD record
ord-adc92f79407446e6b7d13a40c53be92d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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