Bicarbonate Ion → HCID 58158496, compound

HRID 2324268Notes

Reaction equation

HRID 2324268 reaction equation
[C:77](=[O:78])([O-:79])[OH:80].[CH3:82][N:83]([CH3:84])[CH:85]=[O:86].[CH3:87][CH2:88][O:89][C:90](=[O:91])[CH3:92].[CH:44]([N:45]([CH2:46][CH3:47])[CH:48]([CH3:49])[CH3:50])([CH3:51])[CH3:52].[F:25][c:26]1[cH:27][cH:28][c:29](-[n:32]2[c:33](=[O:43])[c:34]([C:40](=[O:41])[OH:42])[c:35]([CH3:39])[cH:36][c:37]2[CH3:38])[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+:81].[P-:53]([F:54])([F:55])([F:56])([F:57])([F:58])[F:59].[n:60]1([O:61][C:62]([N:63]([CH3:64])[CH3:65])=[N+:66]([CH3:67])[CH3:68])[c:69]2[n:70][cH:71][cH:72][cH:73][c:74]2[n:75][n:76]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:40]([c:34]1[c:33](=[O:43])[n:32](-[c:29]2[cH:28][cH:27][c:26]([F:25])[cH:31][cH:30]2)[c:37]([CH3:38])[cH:36][c:35]1[CH3:39])=[O:41]

Participants

10

Reactant 9

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 9886HexafluorophosphateHCID 81531DiisopropylethylamineHCID 612407HCID 612407, compoundHCID 4641409(Dimethylamino)-N,N-dimethyl(3H-(1,2,3)triazolo(4,5-b)pyridin-3-yloxy)methaniminiumHCID 58158605N-[6-(4-amino-2-fluorophenoxy)imidazo[1,2-a]pyridin-2-yl]cyclopropanecarboxamide

Product 1

HCID 58158496HCID 58158496, compound

Sources & evidence

ORD record
ord-07dcb9ced35b41be8d027f30e5cb8500
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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