Ammonium → 4-(3-Aminophenoxy)-5,6-dimethyl-7H-pyrrolo[2,3-d]-pyrimidine

HRID 204526Notes

Reaction equation

HRID 204526 reaction equation
[CH3:29][CH2:30][O:31][C:32](=[O:33])[CH3:34].[CH3:3][CH2:4][OH:5].[Cl-:1].[Fe:28].[N+:7]([O-:8])(=[O:9])[c:10]1[cH:11][c:12]([O:13][c:14]2[c:15]3[c:16]([n:17][cH:18][n:19]2)[nH:20][c:21]([CH3:24])[c:22]3[CH3:23])[cH:25][cH:26][cH:27]1.[NH4+:2].[O:35]1[CH2:36][CH2:37][CH2:38][CH2:39]1.[OH2:6]>>[NH2:7][c:10]1[cH:11][c:12]([O:13][c:14]2[c:15]3[c:16]([n:17][cH:18][n:19]2)[nH:20][c:21]([CH3:24])[c:22]3[CH3:23])[cH:25][cH:26][cH:27]1

Participants

9

Reactant 8

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 23925IronHCID 589311454-(3-Nitrophenoxy)-5,6-dimethyl-7H-pyrrolo[2,3-d]-pyrimidine

Product 1

HCID 589313114-(3-Aminophenoxy)-5,6-dimethyl-7H-pyrrolo[2,3-d]-pyrimidine

Sources & evidence

ORD record
ord-7c719aef10ed415fa66204c296031a23
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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