Bicarbonate Ion → Ethyl 4-(2-amino-5-bromo-phenylamino)-2-fluoro-benzoate

HRID 156093Notes

Reaction equation

HRID 156093 reaction equation
[Br:21][N:22]1[C:23](=[O:24])[CH2:25][CH2:26][C:27]1=[O:28].[C:36](=[O:37])([OH:38])[O-:39].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[NH2:1][c:2]1[c:3]([NH:8][c:9]2[cH:10][c:11]([F:20])[c:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:18][cH:19]2)[cH:4][cH:5][cH:6][cH:7]1.[Na+:34].[Na+:35].[Na+:40].[S:29]([O-:30])([O-:31])(=[O:32])=[S:33]>>[NH2:1][c:2]1[c:3]([NH:8][c:9]2[cH:10][c:11]([F:20])[c:12]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:18][cH:19]2)[cH:4][c:5]([Br:21])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion3×HCID 1084Thiosulfate ionHCID 6228DimethylformamideHCID 67184N-bromobutanimideHCID 22031117Ethyl 4-(2-amino-phenylamino)-2-fluoro-benzoate

Product 1

HCID 22031624Ethyl 4-(2-amino-5-bromo-phenylamino)-2-fluoro-benzoate

Sources & evidence

ORD record
ord-06441ec2bf1f4686aed09e88246bf95c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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