Ammonium → N-(3-(4-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)methyl)-6-methoxy-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl)acetamide

HRID 691600Notes

Reaction equation

HRID 691600 reaction equation
[Br:1][c:2]1[c:3](=[O:31])[n:4]([CH2:19][c:20]2[cH:21][c:22]3[c:23]([cH:29][cH:30]2)[O:24][C:25]([F:27])([F:28])[O:26]3)[c:5](=[O:18])[n:6](-[c:8]2[cH:9][c:10]([NH:14][C:15]([CH3:16])=[O:17])[cH:11][cH:12][cH:13]2)[n:7]1.[CH3:37][O-:38].[Cl-:40].[NH4+:41].[Na+:39].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36]>>[c:2]1([O:32][CH3:33])[c:3](=[O:31])[n:4]([CH2:19][c:20]2[cH:21][c:22]3[c:23]([cH:29][cH:30]2)[O:24][C:25]([F:27])([F:28])[O:26]3)[c:5](=[O:18])[n:6](-[c:8]2[cH:9][c:10]([NH:14][C:15]([CH3:16])=[O:17])[cH:11][cH:12][cH:13]2)[n:7]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 923Sodium ionHCID 6228DimethylformamideHCID 3826051MethoxideHCID 68701252N-(3-(6-bromo-4-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)methyl)-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl)acetamide

Product 1

HCID 59139881N-(3-(4-((2,2-difluorobenzo[d][1,3]dioxol-5-yl)methyl)-6-methoxy-3,5-dioxo-4,5-dihydro-1,2,4-triazin-2(3H)-yl)phenyl)acetamide

Sources & evidence

ORD record
ord-5130049cf65e445b8918e06832dde03a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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