Acetate → HCID 12832310, compound

HRID 1210627Notes

Reaction equation

HRID 1210627 reaction equation
[CH3:14][C:15](=[O:16])[O-:17].[CH3:18][O:19][c:20]1[cH:21][cH:22][c:23](-[c:26]2[n:27][c:28]([SH:39])[nH:29][c:30]2-[c:31]2[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]2)[cH:24][cH:25]1.[CH3:46][N:47]([CH3:48])[CH:49]=[O:50].[N:9]([O-:10])=[O:11].[NH2:1][c:2]1[cH:3][cH:4][cH:5][c:6]([F:7])[cH:8]1.[Na+:12].[Na+:13].[OH2:45].[S:40](=[O:41])(=[O:42])([OH:43])[OH:44]>>[c:2]1([S:39][c:28]2[nH:27][c:26](-[c:23]3[cH:22][cH:21][c:20]([O:19][CH3:18])[cH:25][cH:24]3)[c:30](-[c:31]3[cH:32][cH:33][c:34]([O:37][CH3:38])[cH:35][cH:36]3)[n:29]2)[cH:3][cH:4][cH:5][c:6]([F:7])[cH:8]1

Participants

9

Reactant 8

HCID 175AcetateHCID 923Sodium ion2×HCID 946NitriteHCID 962WaterHCID 1118Sulfuric AcidHCID 6228DimethylformamideHCID 97423-FluoroanilineHCID 178489021HCID 178489021, compound

Product 1

HCID 12832310HCID 12832310, compound

Sources & evidence

ORD record
ord-71b0eb85bbea4b7dae6e033430ce3055
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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