Bicarbonate Ion → 3-(1-(2,4-difluorophenyl)-7-ethyl-6-oxo-6,7-dihydro-1H-pyrazolo[4,3-b]pyrazin-5-yl)-5-fluoro-N-(isoxazol-3-yl)-4-methylbenzamide

HRID 89371

Reaction equation

HRID 89371 reaction equation
[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[Cl:32][C:33]([C:34]([Cl:35])=[O:36])=[O:37].[Cl:56][CH2:57][Cl:58].[F:1][c:2]1[c:3](-[n:9]2[n:10][cH:11][c:12]3[n:13][c:14](-[c:21]4[cH:22][c:23]([C:24](=[O:25])[OH:26])[cH:27][c:28]([F:31])[c:29]4[CH3:30])[c:15](=[O:20])[n:16]([CH2:18][CH3:19])[c:17]23)[cH:4][cH:5][c:6]([F:8])[cH:7]1.[NH2:38][c:39]1[n:40][o:41][cH:42][cH:43]1.[Na+:55].[O-:51][C:52]([OH:53])=[O:54].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63]>>[F:1][c:2]1[c:3](-[n:9]2[n:10][cH:11][c:12]3[n:13][c:14](-[c:21]4[cH:22][c:23]([C:24](=[O:26])[NH:38][c:39]5[n:40][o:41][cH:42][cH:43]5)[cH:27][c:28]([F:31])[c:29]4[CH3:30])[c:15](=[O:20])[n:16]([CH2:18][CH3:19])[c:17]23)[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

9

Reactant 8

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 8471TriethylamineHCID 65578Oxalyl chlorideHCID 18102163-IsoxazolamineHCID 671996043-(1-(2,4-difluorophenyl)-7-ethyl-6-oxo-6,7-dihydro-1H-pyrazolo[4,3-b]pyrazin-5-yl)-5-fluoro-4-methylbenzoic acid

Product 1

HCID 671981413-(1-(2,4-difluorophenyl)-7-ethyl-6-oxo-6,7-dihydro-1H-pyrazolo[4,3-b]pyrazin-5-yl)-5-fluoro-N-(isoxazol-3-yl)-4-methylbenzamide

Sources & evidence

ORD record
ord-621d7d59b0c04977a7562f450bd6c307
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

Loading…