Water → 2-chloro-9-isopropyl-6-(4-fluoro-phenyl-amino)-9H-purine

HRID 209815Notes

Reaction equation

HRID 209815 reaction equation
[C:19](=[O:20])([O-:21])[O-:22].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[CH:25]([CH3:26])([CH3:27])[I:28].[Cl:1][c:2]1[n:3][c:4]([NH:11][c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[c:5]2[nH:6][cH:7][n:8][c:9]2[n:10]1.[Cs+:23].[Cs+:24].[O:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:46]>>[Cl:1][c:2]1[n:3][c:4]([NH:11][c:12]2[cH:13][cH:14][c:15]([F:18])[cH:16][cH:17]2)[c:5]2[n:6][cH:7][n:8]([CH:25]([CH3:26])[CH3:27])[c:9]2[n:10]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 6362Isopropyl iodideHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 219881932-Chloro-6-(4-fluoro-phenyl-amino)-purine

Product 1

HCID 219882462-chloro-9-isopropyl-6-(4-fluoro-phenyl-amino)-9H-purine

Sources & evidence

ORD record
ord-94a0f3495172464d99b0549731c2092d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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