Water → 2-chloro-9-ethyl-6-(3-cyano-phenyl-amino)-9H-purine

HRID 314447Notes

Reaction equation

HRID 314447 reaction equation
[C:20](=[O:21])([O-:22])[O-:23].[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[Cl:1][c:2]1[n:3][c:4]([NH:11][c:12]2[cH:13][c:14]([C:18]#[N:19])[cH:15][cH:16][cH:17]2)[c:5]2[nH:6][cH:7][n:8][c:9]2[n:10]1.[Cs+:24].[Cs+:25].[I:26][CH2:27][CH3:28].[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][c:14]([C:18]#[N:19])[cH:15][cH:16][cH:17]2)[c:5]2[n:6][cH:7][n:8]([CH2:27][CH3:28])[c:9]2[n:10]1

Participants

9

Reactant 8

HCID 962WaterHCID 6228DimethylformamideHCID 6340IodoethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 21988299HCID 21988299, compound

Product 1

HCID 219882732-chloro-9-ethyl-6-(3-cyano-phenyl-amino)-9H-purine

Sources & evidence

ORD record
ord-a5d586cbd91d494288f6daece4a6d72b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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