Ammonia → [4-(5-Amino-3-methyl-pyridin-2-yl)-piperazin-1-yl]-(2,6-difluoro-phenyl)-methanone

HRID 1540964Notes

Reaction equation

HRID 1540964 reaction equation
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[F:10][c:11]1[c:12]([C:18](=[O:19])[N:20]2[CH2:21][CH2:22][N:23]([c:26]3[n:27][cH:28][c:29]([N+:33]([O-:34])=[O:35])[cH:30][c:31]3[CH3:32])[CH2:24][CH2:25]2)[c:13]([F:17])[cH:14][cH:15][cH:16]1.[NH3:9].[Na+:7].[Na+:8].[OH2:41].[S:1]([S:2]([O-:3])=[O:4])([O-:5])=[O:6]>>[F:10][c:11]1[c:12]([C:18](=[O:19])[N:20]2[CH2:21][CH2:22][N:23]([c:26]3[n:27][cH:28][c:29]([NH2:33])[cH:30][c:31]3[CH3:32])[CH2:24][CH2:25]2)[c:13]([F:17])[cH:14][cH:15][cH:16]1

Participants

7

Reactant 6

HCID 222AmmoniaHCID 923Sodium ion2×HCID 962WaterHCID 1086DithioniteHCID 8028TetrahydrofuranHCID 68540471(2,6-Difluoro-phenyl)-[4-(3-methyl-5-nitro-pyridin-2-yl)-piperazin-1-yl]-methanone

Product 1

HCID 68540113[4-(5-Amino-3-methyl-pyridin-2-yl)-piperazin-1-yl]-(2,6-difluoro-phenyl)-methanone

Sources & evidence

ORD record
ord-aae0b7093f9f4fd998c52dc16898ddd5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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