Ammonium → N-[4-({2-[(cyclopropylcarbonyl)amino]-3-fluoroimidazo[1,2-a]pyridin-6-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

HRID 1239340Notes

Reaction equation

HRID 1239340 reaction equation
[C:79](=[O:80])([O-:81])[OH:82].[CH3:84][CH2:85][OH:86].[CH3:88][CH2:89][O:90][C:91](=[O:92])[CH3:93].[CH3:96][N:97]([CH3:98])[CH:99]=[O:100].[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[Cl-:94].[F:1][c:2]1[c:3]([NH:22][C:23](=[O:24])[CH:25]2[CH2:26][CH2:27]2)[n:4][c:5]2[n:6]1[cH:7][c:8]([O:11][c:12]1[c:13]([F:21])[cH:14][c:15]([N+:18]([O-:19])=[O:20])[cH:16][cH:17]1)[cH:9][cH:10]2.[F:28][c:29]1[cH:30][cH:31][c:32](-[n:35]2[c:36](=[O:45])[c:37]([C:42](=[O:43])[OH:44])[cH:38][cH:39][c:40]2[CH3:41])[cH:33][cH:34]1.[Fe:101].[NH4+:95].[Na+:83].[OH2:87].[P-:55]([F:56])([F:57])([F:58])([F:59])([F:60])[F:61].[n:62]1([O:63][C:64]([N:65]([CH3:66])[CH3:67])=[N+:68]([CH3:69])[CH3:70])[c:71]2[n:72][cH:73][cH:74][cH:75][c:76]2[n:77][n:78]1>>[F:1][c:2]1[c:3]([NH:22][C:23](=[O:24])[CH:25]2[CH2:26][CH2:27]2)[n:4][c:5]2[n:6]1[cH:7][c:8]([O:11][c:12]1[c:13]([F:21])[cH:14][c:15]([NH:18][C:42]([c:37]3[c:36](=[O:45])[n:35](-[c:32]4[cH:31][cH:30][c:29]([F:28])[cH:34][cH:33]4)[c:40]([CH3:41])[cH:39][cH:38]3)=[O:43])[cH:16][cH:17]1)[cH:9][cH:10]2

Participants

15

Reactant 14

HCID 223AmmoniumHCID 312ChlorideHCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 23925IronHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 210815291-(4-Fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxylic acidHCID 58158450N-[3-fluoro-6-(2-fluoro-4-nitrophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

Product 1

HCID 58158539N-[4-({2-[(cyclopropylcarbonyl)amino]-3-fluoroimidazo[1,2-a]pyridin-6-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide

Sources & evidence

ORD record
ord-71c64c05655040048e2dfbdd4f288c19
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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