Ammonium → 7-amino-10a-(4-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-4-yl)carbonyl]-2,3,10,10a-tetrahydro-1H,5H-imidazo[1,2-a]pyrrolo[1,2-d]-pyrazin-5-one

HRID 1201592Notes

Reaction equation

HRID 1201592 reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9]23[N:10]([C:11](=[O:21])[c:12]4[n:13]([cH:15][c:16]([N+:18]([O-:19])=[O:20])[cH:17]4)[CH2:14]2)[CH2:22][CH2:23][N:24]3[C:25](=[O:26])[c:27]2[c:28]([CH3:32])[n:29][o:30][cH:31]2)[cH:7][cH:8]1.[CH3:35][OH:36].[Fe+2:50].[NH4+:33].[OH-:34].[OH2:37].[OH2:43].[OH2:44].[OH2:45].[OH2:46].[OH2:47].[OH2:48].[OH2:49].[S:38]([O-:39])([O-:40])(=[O:41])=[O:42]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([C:9]23[N:10]([C:11](=[O:21])[c:12]4[n:13]([cH:15][c:16]([NH2:18])[cH:17]4)[CH2:14]2)[CH2:22][CH2:23][N:24]3[C:25](=[O:26])[c:27]2[c:28]([CH3:32])[n:29][o:30][cH:31]2)[cH:7][cH:8]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 887MethanolHCID 961HydroxideHCID 962Water8×HCID 1117Sulfate IonHCID 27284Ferrous cationHCID 5337344110a-(4-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-4-yl)carbonyl]-7-nitro-2,3,10,10a-tetrahydro-1H,5H-imidazo[1,2-a]pyrrolo[1,2-d]pyrazin-5-one

Product 1

HCID 533733037-amino-10a-(4-methoxyphenyl)-1-[(3-methyl-1,2-oxazol-4-yl)carbonyl]-2,3,10,10a-tetrahydro-1H,5H-imidazo[1,2-a]pyrrolo[1,2-d]-pyrazin-5-one

Sources & evidence

ORD record
ord-0431875101e941df8a3a0837ccc9fa48
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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