Sodium ion → 8-chloro-7-(2-propen-1-yl)-3-(4,4,4-trifluorobutyl)-3,7-dihydro-1H-purine-2,6-dione

HRID 134975

Reaction equation

HRID 134975 reaction equation
[Br:22][CH2:23][CH2:24][CH2:25][C:26]([F:27])([F:28])[F:29].[CH3:30][N:31]([CH3:32])[CH:33]=[O:34].[Cl:1][c:2]1[n:3][c:4]2[nH:5][c:6](=[O:15])[nH:7][c:8](=[O:14])[c:9]2[n:10]1[CH2:11][CH:12]=[CH2:13].[Na+:16].[Na+:17].[O-:18][C:19](=[O:20])[O-:21]>>[Cl:1][c:2]1[n:3][c:4]2[n:5]([CH2:23][CH2:24][CH2:25][C:26]([F:27])([F:28])[F:29])[c:6](=[O:15])[nH:7][c:8](=[O:14])[c:9]2[n:10]1[CH2:11][CH:12]=[CH2:13]

Participants

6

Reactant 5

HCID 923Sodium ion2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 5210064-Bromo-1,1,1-trifluorobutaneHCID 592995327-Allyl-8-chloro-1H-purine-2,6(3H,7H)-dione

Product 1

HCID 592995888-chloro-7-(2-propen-1-yl)-3-(4,4,4-trifluorobutyl)-3,7-dihydro-1H-purine-2,6-dione

Sources & evidence

ORD record
ord-ffa7b6c46bcc45d8a59e20258996a560
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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