Acetone → HCID 57988779, compound

HRID 2138366Notes

Reaction equation

HRID 2138366 reaction equation
[Br:31][CH2:32][CH:33]1[CH:34]([c:36]2[cH:37][c:38]([C:42]([F:43])([F:44])[F:45])[cH:39][cH:40][cH:41]2)[CH2:35]1.[CH2:1]([CH2:2][CH3:3])[n:4]1[c:5](=[O:30])[n:6]([CH2:27][CH2:28][CH3:29])[c:7]2[n:8][c:9](-[c:22]3[cH:23][n:24][nH:25][cH:26]3)[n:10]([CH2:14][O:15][CH2:16][CH2:17][Si:18]([CH3:19])([CH3:20])[CH3:21])[c:11]2[c:12]1=[O:13].[CH3:52][C:53](=[O:54])[CH3:55].[K+:46].[K+:47].[O-:48][C:49]([O-:50])=[O:51]>>[CH2:1]([CH2:2][CH3:3])[n:4]1[c:5](=[O:30])[n:6]([CH2:27][CH2:28][CH3:29])[c:7]2[n:8][c:9](-[c:22]3[cH:23][n:24]([CH2:32][CH:33]4[CH:34]([c:36]5[cH:37][c:38]([C:42]([F:43])([F:44])[F:45])[cH:39][cH:40][cH:41]5)[CH2:35]4)[n:25][cH:26]3)[n:10]([CH2:14][O:15][CH2:16][CH2:17][Si:18]([CH3:19])([CH3:20])[CH3:21])[c:11]2[c:12]1=[O:13]

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 116261941,3-dipropyl-8-(1H-pyrazol-4-yl)-7-(2-trimethylsilanyl-ethoxymethyl)-3,7-dihydro-purine-2,6-dioneHCID 57429660HCID 57429660, compound

Product 1

HCID 57988779HCID 57988779, compound

Sources & evidence

ORD record
ord-161ee60ad7d0464591a09dbf243414cd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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