Ammonium → 4-(4-Amino-2-fluorophenoxy)-6-[(pyrrolidin-1-yl)carbonylamino]pyrimidine

HRID 1145463Notes

Reaction equation

HRID 1145463 reaction equation
[CH2:29]([OH:30])[CH3:31].[Cl-:26].[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([NH:11][C:12](=[O:13])[N:14]3[CH2:15][CH2:16][CH2:17][CH2:18]3)[n:8][cH:9][n:10]2)[cH:19][cH:20][c:21]([N+:23]([O-:24])=[O:25])[cH:22]1.[Fe:32].[NH4+:27].[OH2:28]>>[F:1][c:2]1[c:3]([O:4][c:5]2[cH:6][c:7]([NH:11][C:12](=[O:13])[N:14]3[CH2:15][CH2:16][CH2:17][CH2:18]3)[n:8][cH:9][n:10]2)[cH:19][cH:20][c:21]([NH2:23])[cH:22]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 962WaterHCID 23925IronHCID 57677447N-(6-(2-Fluoro-4-nitrophenoxy)pyrimidin-4-yl)pyrrolidine-1-carboxamide

Product 1

HCID 231534594-(4-Amino-2-fluorophenoxy)-6-[(pyrrolidin-1-yl)carbonylamino]pyrimidine

Sources & evidence

ORD record
ord-403b18bfc217460caf7db9bf5f3f263a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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