Acetone → 1,3-Dipropyl-8-{4-[3-(4-trifluoromethoxy-phenyl)-prop-2-ynyloxy]-phenyl}-7-(2-trimethylsilanyl-ethoxymethyl)-3,7-dihydro-purine-2,6-dione

HRID 700066Notes

Reaction equation

HRID 700066 reaction equation
[Br:39][CH2:40][C:41]#[C:42][c:43]1[cH:44][cH:45][c:46]([O:49][C:50]([F:51])([F:52])[F:53])[cH:47][cH:48]1.[C:33](=[O:34])([O-:35])[O-:36].[CH3:54][C:55](=[O:56])[CH3:57].[K+:37].[K+:38].[OH:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([CH2:30][CH2:31][CH3:32])[c:12](=[O:29])[n:13]([CH2:26][CH2:27][CH3:28])[c:14](=[O:25])[c:15]3[n:16]2[CH2:17][O:18][CH2:19][CH2:20][Si:21]([CH3:22])([CH3:23])[CH3:24])[cH:6][cH:7]1>>[O:1]([c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([CH2:30][CH2:31][CH3:32])[c:12](=[O:29])[n:13]([CH2:26][CH2:27][CH3:28])[c:14](=[O:25])[c:15]3[n:16]2[CH2:17][O:18][CH2:19][CH2:20][Si:21]([CH3:22])([CH3:23])[CH3:24])[cH:6][cH:7]1)[CH2:40][C:41]#[C:42][c:43]1[cH:44][cH:45][c:46]([O:49][C:50]([F:51])([F:52])[F:53])[cH:47][cH:48]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 10779014HCID 10779014, compoundHCID 135617740HCID 135617740, compound

Product 1

HCID 579887691,3-Dipropyl-8-{4-[3-(4-trifluoromethoxy-phenyl)-prop-2-ynyloxy]-phenyl}-7-(2-trimethylsilanyl-ethoxymethyl)-3,7-dihydro-purine-2,6-dione

Sources & evidence

ORD record
ord-cffc39cce9284de99f67d43db5d30641
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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