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

HRID 673964Notes

Reaction equation

HRID 673964 reaction equation
[C:79](=[O:80])([O-:81])[OH:82].[CH3:84][N:85]([CH3:86])[CH:87]=[O:88].[CH3:89][CH2:90][OH:91].[CH3:97][CH2:98][O:99][C:100](=[O:101])[CH3:102].[CH:46]([N:47]([CH2:48][CH3:49])[CH:50]([CH3:51])[CH3:52])([CH3:53])[CH3:54].[F:25][c:26]1[cH:27][cH:28][c:29](-[n:32]2[c:33](=[O:45])[c:34]([C:42](=[O:43])[OH:44])[cH:35][cH:36][c:37]2[C:38]([F:39])([F:40])[F:41])[cH:30][cH:31]1.[NH2:1][c:2]1[cH:3][c:4]([F:24])[c:5]([O:6][c:7]2[cH:8][cH:9][c:10]3[n:11]([cH:12]2)[cH:13][c:14]([NH:16][C:17](=[O:18])[CH:19]2[CH2:20][CH2:21]2)[n:15]3)[cH:22][cH:23]1.[Na+:83].[O:92]1[CH2:93][CH2:94][CH2:95][CH2:96]1.[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>>[NH:1]([c:2]1[cH:3][c:4]([F:24])[c:5]([O:6][c:7]2[cH:8][cH:9][c:10]3[n:11]([cH:12]2)[cH:13][c:14]([NH:16][C:17](=[O:18])[CH:19]2[CH2:20][CH2:21]2)[n:15]3)[cH:22][cH:23]1)[C:42]([c:34]1[c:33](=[O:45])[n:32](-[c:29]2[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]2)[c:37]([C:38]([F:39])([F:40])[F:41])[cH:36][cH:35]1)=[O:43]

Participants

12

Reactant 11

HCID 702EthanolHCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 581584761-(4-Fluorophenyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylic acidHCID 58158605N-[6-(4-amino-2-fluorophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

Product 1

HCID 58158464N-[4-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-a]pyridin-6-yl}oxy)-3-fluorophenyl]-1-(4-fluorophenyl)-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxamide

Sources & evidence

ORD record
ord-fcd726191c584ac083ea7f0ddee7957b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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